data_[Sr2Pr2Ga2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [P2_1/m]
_cell_length_a [6.6644]
_cell_length_b [6.6994]
_cell_length_c [8.1761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2778]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrPrGaS4]
_chemical_formula_sum '[Sr2 Pr2 Ga2 S8]'
_cell_volume [348.5708]
_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
[
  Sr  Sr0  2  0.2564  0.2500  0.0638  1.0
  Pr  Pr1  2  0.2241  0.2500  0.5556  1.0
  Ga  Ga2  2  0.2359  0.7500  0.3115  1.0
  S  S3  4  0.0004  0.5064  0.7406  1.0
  S  S4  2  0.4325  0.7500  0.5909  1.0
  S  S5  2  0.4343  0.7500  0.1307  1.0
]