data_[Pm10C2Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  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 [13.1195]
_cell_length_b [5.8324]
_cell_length_c [8.1696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7205]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pm5CSe5]
_chemical_formula_sum '[Pm10 C2 Se10]'
_cell_volume [592.0488]
_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  0.1479  0.0000  0.8444  1
  Pm  Pm1  4  0.1514  0.0000  0.3079  1
  Pm  Pm2  2  0.0000  0.5000  0.0000  1
  Se  Se3  4  0.1658  0.5000  0.8299  1
  Se  Se4  4  0.1759  0.5000  0.3315  1
  C  C5  2  0.0000  0.0000  0.0000  1
  Se  Se6  2  0.0000  0.0000  0.5000  1
]