data_[Pr8Ga4S2]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6008]
_cell_length_b [4.3310]
_cell_length_c [8.8372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7852]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr4Ga2S]
_chemical_formula_sum '[Pr8 Ga4 S2]'
_cell_volume [396.0939]
_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  0.0846  0.0000  0.3740  1
  Pr  Pr1  4  0.1745  0.5000  0.0860  1
  Ga  Ga2  4  0.1160  0.5000  0.6630  1
  S  S3  2  0.0000  0.0000  0.0000  1
]