data_Ca2GaFeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   14.74
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2GaFeO5
_chemical_formula_sum   'Ca8 Ga4 Fe4 O20'
_cell_volume   459.39
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.63  0.14  0.16  1.0
  Ca  Ca1  1  0.11  0.77  0.01  1.0
  Ca  Ca2  1  0.11  0.6  0.01  1.0
  Ca  Ca3  1  0.37  0.14  0.68  1.0
  Ca  Ca4  1  0.37  0.97  0.68  1.0
  Ca  Ca5  1  0.85  0.77  0.52  1.0
  Ca  Ca6  1  0.85  0.6  0.52  1.0
  Ca  Ca7  1  0.63  0.97  0.16  1.0
  Ga  Ga8  1  0.22  0.05  0.28  1.0
  Ga  Ga9  1  0.01  0.68  0.44  1.0
  Ga  Ga10  1  0.48  0.05  0.25  1.0
  Ga  Ga11  1  0.26  0.68  0.4  1.0
  Fe  Fe12  1  0.0  0.0  0.0  1.0
  Fe  Fe13  1  0.0  0.37  0.0  1.0
  Fe  Fe14  1  0.74  0.37  0.84  1.0
  Fe  Fe15  1  0.74  0.0  0.84  1.0
  O  O16  1  0.9  0.68  0.12  1.0
  O  O17  1  0.18  0.14  0.5  1.0
  O  O18  1  0.04  0.51  0.34  1.0
  O  O19  1  0.18  0.63  0.42  1.0
  O  O20  1  0.3  0.51  0.19  1.0
  O  O21  1  0.44  0.22  0.34  1.0
  O  O22  1  0.44  0.14  0.34  1.0
  O  O23  1  0.56  0.1  0.27  1.0
  O  O24  1  0.16  0.68  0.72  1.0
  O  O25  1  0.32  0.05  0.96  1.0
  O  O26  1  0.3  0.59  0.19  1.0
  O  O27  1  0.3  0.1  0.26  1.0
  O  O28  1  0.18  0.47  0.42  1.0
  O  O29  1  0.58  0.05  0.57  1.0
  O  O30  1  0.04  0.59  0.34  1.0
  O  O31  1  0.56  0.26  0.27  1.0
  O  O32  1  0.92  0.63  0.42  1.0
  O  O33  1  0.18  0.22  0.5  1.0
  O  O34  1  0.3  0.26  0.26  1.0
  O  O35  1  0.92  0.47  0.42  1.0

data_Ca2GaFeO5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.48
_cell_length_b   5.69
_cell_length_c   14.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2GaFeO5
_chemical_formula_sum   'Ca8 Ga4 Fe4 O20'
_cell_volume   459.39
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ca  Ca0  1  0.15  0.48  0.23  1.0
  Ca  Ca1  1  0.15  0.48  0.4  1.0
  Ca  Ca2  1  0.37  0.84  0.03  1.0
  Ca  Ca3  1  0.37  0.84  0.86  1.0
  Ca  Ca4  1  0.63  0.32  0.03  1.0
  Ca  Ca5  1  0.63  0.32  0.86  1.0
  Ca  Ca6  1  0.89  0.99  0.23  1.0
  Ca  Ca7  1  0.89  0.99  0.4  1.0
  Ga  Ga8  1  0.52  0.75  0.95  1.0
  Ga  Ga9  1  0.74  0.6  0.32  1.0
  Ga  Ga10  1  0.78  0.72  0.95  1.0
  Ga  Ga11  1  0.99  0.56  0.32  1.0
  Fe  Fe12  1  0.0  0.0  0.0  1.0
  Fe  Fe13  1  0.0  0.0  0.63  1.0
  Fe  Fe14  1  0.26  0.16  0.0  1.0
  Fe  Fe15  1  0.26  0.16  0.63  1.0
  O  O16  1  0.08  0.58  0.37  1.0
  O  O17  1  0.08  0.58  0.53  1.0
  O  O18  1  0.1  0.88  0.32  1.0
  O  O19  1  0.42  0.43  0.95  1.0
  O  O20  1  0.44  0.73  0.74  1.0
  O  O21  1  0.44  0.73  0.9  1.0
  O  O22  1  0.56  0.66  0.78  1.0
  O  O23  1  0.56  0.66  0.86  1.0
  O  O24  1  0.68  0.04  0.95  1.0
  O  O25  1  0.7  0.74  0.74  1.0
  O  O26  1  0.7  0.74  0.9  1.0
  O  O27  1  0.7  0.81  0.41  1.0
  O  O28  1  0.7  0.81  0.49  1.0
  O  O29  1  0.82  0.5  0.78  1.0
  O  O30  1  0.82  0.5  0.86  1.0
  O  O31  1  0.82  0.58  0.37  1.0
  O  O32  1  0.82  0.58  0.53  1.0
  O  O33  1  0.84  0.28  0.32  1.0
  O  O34  1  0.96  0.66  0.41  1.0
  O  O35  1  0.96  0.66  0.49  1.0

Ca Ca Ca Ca Ca Ca Ca Ca Ga Ga Ga Ga Fe Fe Fe Fe O O O O O O O O O O O O O O O O O O O O
Ca Ca Ca Ca Ca Ca Ca Ca Ga Ga Ga Ga Fe Fe Fe Fe O O O O O O O O O O O O O O O O O O O O 0 23 o o o 1 16 - o o 1 24 o o - 2 26 o o o 2 16 - o o 2 24 o o - 3 17 o o o 3 25 o o o 3 29 o o o 4 25 o + o 4 29 o + o 5 9 + o o 6 32 o o o 7 10 o + o 7 15 o + - 8 27 o o o 8 25 o o - 9 32 - o o 9 16 - o o 9 24 o o o 10 23 o o o 10 25 o o - 10 29 o o o 11 19 o o o 11 24 o o o 12 15 - o - 12 25 o o - 13 14 - o - 15 29 o o o 16 30 + o o 16 32 o o o 17 33 o o o 18 35 - o o 18 28 o o o 18 30 o o o 19 30 o o o 19 24 o o o 20 26 o o o 21 34 o o o 21 22 o o o 21 31 o o o 22 27 o o o 22 23 o o o 22 29 o o o 23 29 o o o 25 27 o o + 30 32 - o o 