data_[Pm20Te8Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.4757]
_cell_length_b [8.0860]
_cell_length_c [7.9781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Pm5(TeSe)2]
_chemical_formula_sum '[Pm20 Te8 Se8]'
_cell_volume [998.3460]
_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
[
  Pm  Pm0  16  0.1272  0.1563  0.3436  1
  Pm  Pm1  4  0.0000  0.0000  0.0000  1
  Te  Te2  8  0.2016  0.0000  0.0000  1
  Se  Se3  8  0.0000  0.1459  0.6437  1
]