data_[Pm12P4C2Se6]
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
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0570]
_cell_length_b [4.0582]
_cell_length_c [8.3377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6951]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm6P2CSe3]
_chemical_formula_sum '[Pm12 P4 C2 Se6]'
_cell_volume [590.9907]
_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  0.0015  0.0000  0.2161  1
  Pm  Pm1  4  0.1500  0.5000  0.0842  1
  Pm  Pm2  4  0.1691  0.5000  0.5742  1
  P  P3  4  0.1655  0.0000  0.3323  1
  Se  Se4  4  0.1698  0.0000  0.8359  1
  C  C5  2  0.0000  0.5000  0.0000  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]