data_[Pm6Te2Se2Br2]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7096]
_cell_length_b [4.2002]
_cell_length_c [9.9254]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4198]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pm3TeSeBr]
_chemical_formula_sum '[Pm6 Te2 Se2 Br2]'
_cell_volume [355.9038]
_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  2  0.1071  0.7500  0.8873  1
  Pm  Pm1  2  0.3195  0.2500  0.5174  1
  Pm  Pm2  2  0.4217  0.2500  0.1501  1
  Te  Te3  2  0.1785  0.7500  0.2265  1
  Se  Se4  2  0.3425  0.2500  0.8487  1
  Br  Br5  2  0.1152  0.7500  0.5955  1
]