data_[Pm4B12C8]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3014]
_cell_length_b [2.8896]
_cell_length_c [7.5595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1304]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmB3C2]
_chemical_formula_sum '[Pm4 B12 C8]'
_cell_volume [217.7112]
_cell_formula_units_Z [4]
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  0.1361  0.0000  0.0324  1
  B  B1  4  0.1061  0.5000  0.7131  1
  B  B2  4  0.1118  0.0000  0.4167  1
  B  B3  4  0.2199  0.5000  0.3967  1
  C  C4  4  0.0465  0.5000  0.2954  1
  C  C5  4  0.1597  0.0000  0.6689  1
]