data_[Pm4B2Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  B  2.0400  0.8500  0.4100
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2115]
_cell_length_b [9.3305]
_cell_length_c [5.7855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.6649]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Pm2BSe5]
_chemical_formula_sum '[Pm4 B2 Se10]'
_cell_volume [399.5386]
_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  0.4373  0.2617  0.4094  1
  B  B1  2  0.0396  0.0000  0.1186  1
  Se  Se2  4  0.0853  0.1936  0.9951  1
  Se  Se3  2  0.2083  0.5000  0.5100  1
  Se  Se4  2  0.2203  0.0000  0.5173  1
  Se  Se5  2  0.2638  0.5000  0.0444  1
]