data_[La2Pm2B2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pm  1.1300  1.8500  1.1100
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.0672]
_cell_length_b [5.5902]
_cell_length_c [7.1543]
_cell_angle_alpha [77.0986]
_cell_angle_beta [74.0985]
_cell_angle_gamma [82.8883]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LaPmB]
_chemical_formula_sum '[La2 Pm2 B2]'
_cell_volume [152.1493]
_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
[
  La  La0  1  0.3084  0.6165  0.5988  1
  La  La1  1  0.6259  0.4580  0.1046  1
  Pm  Pm2  1  0.2670  0.9897  0.9843  1
  Pm  Pm3  1  0.9629  0.1478  0.4649  1
  B  B4  1  0.6600  0.9211  0.2581  1
  B  B5  1  0.9237  0.6851  0.3173  1
]