data_[Pr4Cu2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8153]
_cell_length_b [5.7259]
_cell_length_c [8.0956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2252]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr2CuS4]
_chemical_formula_sum '[Pr4 Cu2 S8]'
_cell_volume [301.7488]
_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  2  0.2293  0.7500  0.4318  1.0
  Pr  Pr1  2  0.2412  0.7500  0.9354  1.0
  Cu  Cu2  2  0.2496  0.2500  0.1879  1.0
  S  S3  4  0.4883  0.0116  0.7425  1.0
  S  S4  2  0.0713  0.2500  0.3879  1.0
  S  S5  2  0.0767  0.2500  0.8989  1.0
]