data_[Pr2Cu2Sn2Se6]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.2155]
_cell_length_b [11.1112]
_cell_length_c [7.0918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2317]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrCuSnSe3]
_chemical_formula_sum '[Pr2 Cu2 Sn2 Se6]'
_cell_volume [317.2654]
_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  0.0000  0.0000  0.0000  1.0
  Cu  Cu1  2  0.4992  0.7500  0.0581  1.0
  Sn  Sn2  2  0.1091  0.7500  0.4791  1.0
  Se  Se3  4  0.3624  0.0753  0.7150  1.0
  Se  Se4  2  0.0862  0.2500  0.1622  1.0
]