data_[Pm10C2Se8]
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 [I4/m]
_cell_length_a [9.2362]
_cell_length_b [9.2362]
_cell_length_c [5.8311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Pm5CSe4]
_chemical_formula_sum '[Pm10 C2 Se8]'
_cell_volume [497.4363]
_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  0.0907  0.7367  0.0000  1
  Pm  Pm1  2  0.0000  0.0000  0.5000  1
  Se  Se2  8  0.0926  0.6950  0.5000  1
  C  C3  2  0.0000  0.0000  0.0000  1
]