data_[Pm12Te4Se24]
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 [Cmc2_1]
_cell_length_a [11.3121]
_cell_length_b [14.2906]
_cell_length_c [7.1414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pm3TeSe6]
_chemical_formula_sum '[Pm12 Te4 Se24]'
_cell_volume [1154.4530]
_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  8  0.1867  0.1006  0.5048  1
  Pm  Pm1  4  0.0000  0.4108  0.6207  1
  Te  Te2  4  0.0000  0.1675  0.0310  1
  Se  Se3  8  0.1627  0.2665  0.7921  1
  Se  Se4  8  0.1652  0.4635  0.3157  1
  Se  Se5  4  0.0000  0.0091  0.7599  1
  Se  Se6  4  0.0000  0.2337  0.3776  1
]