data_[Pr4Er4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4925]
_cell_length_b [3.9451]
_cell_length_c [8.6414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7767]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrErS3]
_chemical_formula_sum '[Pr4 Er4 S12]'
_cell_volume [493.4812]
_cell_formula_units_Z [4]
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  0.1148  0.5000  0.5876  1.0
  Er  Er1  4  0.1716  0.0000  0.1351  1.0
  S  S2  4  0.0367  0.0000  0.3369  1.0
  S  S3  4  0.1423  0.5000  0.9337  1.0
  S  S4  4  0.2439  0.5000  0.3357  1.0
]