data_[Pm12Sb4Te2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9580]
_cell_length_b [4.3365]
_cell_length_c [8.7020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm6Sb2TeSe3]
_chemical_formula_sum '[Pm12 Sb4 Te2 Se6]'
_cell_volume [695.8611]
_cell_formula_units_Z [2]
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  4  0.0030  0.0000  0.7320  1
  Pm  Pm1  4  0.1641  0.5000  0.5901  1
  Pm  Pm2  4  0.1734  0.5000  0.0785  1
  Sb  Sb3  4  0.1659  0.0000  0.3317  1
  Te  Te4  2  0.0000  0.5000  0.0000  1
  Se  Se5  4  0.1653  0.0000  0.8335  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]