data_[Pm24B3Se12S9]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1615]
_cell_length_b [8.1615]
_cell_length_c [20.4850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pm8BSe4S3]
_chemical_formula_sum '[Pm24 B3 Se12 S9]'
_cell_volume [1181.6896]
_cell_formula_units_Z [3]
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  18  0.0174  0.5087  0.2411  1
  Pm  Pm1  6  0.0000  0.0000  0.2436  1
  B  B2  3  0.0000  0.0000  0.5000  1
  Se  Se3  9  0.0000  0.5000  0.0000  1
  Se  Se4  3  -0.0000  -0.0000  0.0000  1
  S  S5  9  0.0000  0.5000  0.5000  1
]