data_[Pm4Tc4B8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Tc  1.9000  1.3500  0.7417
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.0942]
_cell_length_b [3.5724]
_cell_length_c [10.1961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [PmTcB2]
_chemical_formula_sum '[Pm4 Tc4 B8]'
_cell_volume [221.9790]
_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  0.1071  0.2500  0.1380  1
  Tc  Tc1  4  0.1141  0.2500  0.4389  1
  B  B2  4  0.0349  0.2500  0.6700  1
  B  B3  4  0.2403  0.2500  0.8155  1
]