data_[Pr8Mn4Cu4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mn  1.5500  1.4000  0.6483
  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 [4.0438]
_cell_length_b [17.5669]
_cell_length_c [11.7891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2MnCuSe5]
_chemical_formula_sum '[Pr8 Mn4 Cu4 Se20]'
_cell_volume [837.4650]
_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  0.1131  0.6926  1.0
  Pr  Pr1  4  0.0000  0.1252  0.3066  1.0
  Mn  Mn2  4  0.0000  0.1958  0.0138  1.0
  Cu  Cu3  4  0.0000  0.4244  0.4540  1.0
  Se  Se4  4  0.0000  0.0548  0.0599  1.0
  Se  Se5  4  0.0000  0.2856  0.6618  1.0
  Se  Se6  4  0.0000  0.3013  0.3516  1.0
  Se  Se7  4  0.0000  0.3481  0.0022  1.0
  Se  Se8  4  0.0000  0.4988  0.2814  1.0
]