data_[Pr4Er2Cr2S12]
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
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5193]
_cell_length_b [7.1410]
_cell_length_c [11.4437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1665]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr2ErCrS6]
_chemical_formula_sum '[Pr4 Er2 Cr2 S12]'
_cell_volume [445.9644]
_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  0.2092  0.0964  0.2467  1.0
  Er  Er1  2  0.5000  0.0000  0.0000  1.0
  Cr  Cr2  2  0.0000  0.0000  0.5000  1.0
  S  S3  4  0.1082  0.2010  0.9404  1.0
  S  S4  4  0.2480  0.6783  0.9423  1.0
  S  S5  4  0.3562  0.0320  0.7344  1.0
]