data_[Er4Pa4B16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Pa  1.5000  1.8000  1.0400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.7289]
_cell_length_b [6.7289]
_cell_length_c [6.7289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [ErPaB4]
_chemical_formula_sum '[Er4 Pa4 B16]'
_cell_volume [304.6674]
_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
[
  Er  Er0  4  0.0000  0.0000  0.0000  1
  Pa  Pa1  4  0.2500  0.2500  0.2500  1
  B  B2  16  0.0931  0.4069  0.9069  1
]