data_[Pr12Ga2Co4Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  Co  1.8800  1.3500  0.7683
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.6758]
_cell_length_b [4.0539]
_cell_length_c [9.2252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8590]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6GaCo2Br3]
_chemical_formula_sum '[Pr12 Ga2 Co4 Br6]'
_cell_volume [692.0861]
_cell_formula_units_Z [2]
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
[
  Pr  Pr0  4  0.0224  0.0000  0.2494  1.0
  Pr  Pr1  4  0.1617  0.5000  0.1305  1.0
  Pr  Pr2  4  0.1820  0.5000  0.5594  1.0
  Ga  Ga3  2  0.0000  0.5000  0.0000  1.0
  Co  Co4  4  0.1701  0.0000  0.3432  1.0
  Br  Br5  4  0.1629  0.0000  0.8399  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]