data_Ca4Mn3SbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.5
_cell_length_c   7.71
_cell_angle_alpha   90.13
_cell_angle_beta   90.06
_cell_angle_gamma   90.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4Mn3SbO12
_chemical_formula_sum   'Ca4 Mn3 Sb1 O12'
_cell_volume   229.67
_cell_formula_units_Z   1
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  0.66  0.21  0.92  1.0
  Ca  Ca1  1  0.74  0.27  0.8  1.0
  Ca  Ca2  1  0.05  0.02  0.91  1.0
  Ca  Ca3  1  0.35  0.47  0.8  1.0
  Mn  Mn4  1  0.0  0.0  0.0  1.0
  Mn  Mn5  1  1.0  0.99  0.86  1.0
  Mn  Mn6  1  0.7  0.75  0.0  1.0
  Sb  Sb7  1  0.7  0.74  0.86  1.0
  O  O8  1  0.14  0.58  0.42  1.0
  O  O9  1  0.33  0.86  0.49  1.0
  O  O10  1  0.27  0.91  0.3  1.0
  O  O11  1  0.07  0.62  0.22  1.0
  O  O12  1  0.16  0.61  0.8  1.0
  O  O13  1  0.24  0.88  0.92  1.0
  O  O14  1  0.56  0.32  0.42  1.0
  O  O15  1  0.79  0.1  0.49  1.0
  O  O16  1  0.84  0.17  0.3  1.0
  O  O17  1  0.61  0.39  0.22  1.0
  O  O18  1  0.97  0.36  0.77  1.0
  O  O19  1  0.43  0.12  0.94  1.0

data_Ca4Mn3SbO12
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.41
_cell_length_b   5.5
_cell_length_c   7.71
_cell_angle_alpha   90.13
_cell_angle_beta   90.06
_cell_angle_gamma   90.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4Mn3SbO12
_chemical_formula_sum   'Ca4 Mn3 Sb1 O12'
_cell_volume   229.67
_cell_formula_units_Z   1
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  0.05  0.02  0.91  1.0
  Ca  Ca1  1  0.35  0.47  0.8  1.0
  Ca  Ca2  1  0.66  0.21  0.92  1.0
  Ca  Ca3  1  0.74  0.27  0.8  1.0
  Mn  Mn4  1  0.0  0.0  0.0  1.0
  Mn  Mn5  1  0.7  0.75  0.0  1.0
  Mn  Mn6  1  1.0  0.99  0.86  1.0
  Sb  Sb7  1  0.7  0.74  0.86  1.0
  O  O8  1  0.07  0.62  0.22  1.0
  O  O9  1  0.14  0.58  0.42  1.0
  O  O10  1  0.16  0.61  0.8  1.0
  O  O11  1  0.24  0.88  0.92  1.0
  O  O12  1  0.27  0.91  0.3  1.0
  O  O13  1  0.33  0.86  0.49  1.0
  O  O14  1  0.43  0.12  0.94  1.0
  O  O15  1  0.56  0.32  0.42  1.0
  O  O16  1  0.61  0.39  0.22  1.0
  O  O17  1  0.79  0.1  0.49  1.0
  O  O18  1  0.84  0.17  0.3  1.0
  O  O19  1  0.97  0.36  0.77  1.0

Ca Ca Ca Ca Mn Mn Mn Sb O O O O O O O O O O O O
Ca Ca Ca Ca Mn Mn Mn Sb O O O O O O O O O O O O 0 1 o o o 0 19 o o o 1 18 o o o 2 5 - - o 2 4 o o + 2 13 o - o 3 12 o o o 4 13 o - - 5 13 + o o 6 7 o o - 8 11 o o o 9 10 o o o 14 16 o o o 14 15 o o o 14 17 o o o 15 16 o o o 16 17 o o o 