data_[Pr8Tm4Cu4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0818]
_cell_length_b [17.6982]
_cell_length_c [12.1732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2TmCuSe5]
_chemical_formula_sum '[Pr8 Tm4 Cu4 Se20]'
_cell_volume [879.4064]
_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  0.0000  0.1093  0.6870  1.0
  Pr  Pr1  4  0.0000  0.1233  0.3093  1.0
  Tm  Tm2  4  0.0000  0.1935  0.0107  1.0
  Cu  Cu3  4  0.0000  0.4349  0.4547  1.0
  Se  Se4  4  0.0000  0.0439  0.0607  1.0
  Se  Se5  4  0.0000  0.2875  0.6705  1.0
  Se  Se6  4  0.0000  0.3106  0.3489  1.0
  Se  Se7  4  0.0000  0.3551  0.0013  1.0
  Se  Se8  4  0.0000  0.4995  0.7808  1.0
]