data_[Pr12Ga2P4Br6]
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
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.3144]
_cell_length_b [4.2044]
_cell_length_c [8.9150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8642]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6GaP2Br3]
_chemical_formula_sum '[Pr12 Ga2 P4 Br6]'
_cell_volume [692.8042]
_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  0.0109  0.0000  0.2376  1.0
  Pr  Pr1  4  0.1594  0.5000  0.1131  1.0
  Pr  Pr2  4  0.1782  0.5000  0.5583  1.0
  Ga  Ga3  2  0.0000  0.5000  0.0000  1.0
  P  P4  4  0.1674  0.0000  0.3357  1.0
  Br  Br5  4  0.1661  0.0000  0.8330  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]