data_[Pm4Pr8Mn4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Pr  1.1300  1.8500  1.0600
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1170]
_cell_length_b [17.6588]
_cell_length_c [12.6435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [PmPr2MnSe5]
_chemical_formula_sum '[Pm4 Pr8 Mn4 Se20]'
_cell_volume [919.2006]
_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  0.1192  0.3462  1
  Pr  Pr1  4  0.0000  0.1199  0.6927  1
  Pm  Pm2  4  0.0000  0.1801  0.0264  1
  Mn  Mn3  4  0.0000  0.4488  0.4237  1
  Se  Se4  4  0.0000  0.0127  0.0187  1
  Se  Se5  4  0.0000  0.3016  0.6923  1
  Se  Se6  4  0.0000  0.3131  0.3563  1
  Se  Se7  4  0.0000  0.3452  0.0181  1
  Se  Se8  4  0.0000  0.4935  0.7495  1
]