data_[Pm12P10Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1793]
_cell_length_b [12.4233]
_cell_length_c [7.1792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4632]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm6P5Se]
_chemical_formula_sum '[Pm12 P10 Se2]'
_cell_volume [603.7276]
_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  8  0.2442  0.3292  0.7455  1
  Pm  Pm1  4  0.2435  0.5000  0.2551  1
  P  P2  4  0.0000  0.1648  0.5000  1
  P  P3  4  0.0000  0.3330  0.0000  1
  P  P4  2  0.0000  0.5000  0.5000  1
  Se  Se5  2  0.0000  0.0000  0.0000  1
]