data_Y6Ga6Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19
_cell_length_b   8.19
_cell_length_c   8.19
_cell_angle_alpha   133.0
_cell_angle_beta   113.86
_cell_angle_gamma   85.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y6Ga6Fe
_chemical_formula_sum   'Y6 Ga6 Fe1'
_cell_volume   352.97
_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
  Y  Y7  1  0.27  0.19  0.0  1.0
  Y  Y8  1  0.0  0.28  0.04  1.0
  Y  Y9  1  0.63  0.24  0.98  1.0
  Y  Y10  1  0.63  0.24  0.02  1.0
  Y  Y11  1  0.37  0.24  0.02  1.0
  Y  Y12  1  0.63  0.76  0.02  1.0
  Ga  Ga1  1  0.0  0.57  0.0  1.0
  Ga  Ga2  1  0.0  0.37  0.0  1.0
  Ga  Ga3  1  0.0  0.0  0.16  1.0
  Ga  Ga4  1  0.0  0.0  0.92  1.0
  Ga  Ga5  1  0.0  0.47  0.11  1.0
  Ga  Ga6  1  0.27  0.0  0.93  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_Y6Ga6Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.53
_cell_length_b   8.19
_cell_length_c   8.19
_cell_angle_alpha   66.14
_cell_angle_beta   66.5
_cell_angle_gamma   66.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y6Ga6Fe
_chemical_formula_sum   'Y6 Ga6 Fe1'
_cell_volume   352.97
_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
  Y  Y0  1  0.04  0.0  0.24  1.0
  Y  Y1  1  0.35  0.63  0.26  1.0
  Y  Y2  1  0.39  0.63  0.22  1.0
  Y  Y3  1  0.39  0.63  0.74  1.0
  Y  Y4  1  0.65  0.37  0.22  1.0
  Y  Y5  1  0.73  0.27  0.19  1.0
  Ga  Ga6  1  -0.0  0.0  0.37  1.0
  Ga  Ga7  1  0.0  0.0  0.57  1.0
  Ga  Ga8  1  0.11  -0.0  0.36  1.0
  Ga  Ga9  1  0.16  -0.0  0.84  1.0
  Ga  Ga10  1  0.66  0.27  0.07  1.0
  Ga  Ga11  1  0.92  -0.0  0.08  1.0
  Fe  Fe12  1  0.0  0.0  0.0  1.0

Y Y Y Y Y Y Ga Ga Ga Ga Ga Ga Fe
Y Y Y Y Y Y Ga Ga Ga Ga Ga Ga Fe 0 4 o o o 0 11 o o - 1 7 o o o 2 3 o o + 2 5 o - + 2 5 o o + 3 5 o - o 5 11 o + - 5 6 + o o 5 10 + o o 5 12 + + o 5 8 + + o 6 10 o o o 6 7 o o o 7 10 o o o 8 12 o o o 9 12 o o + 