data_[Zr12Pa4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Pa  1.5000  1.8000  1.0400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9365]
_cell_length_b [3.8390]
_cell_length_c [11.5390]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8123]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr3PaBi]
_chemical_formula_sum '[Zr12 Pa4 Bi4]'
_cell_volume [482.7590]
_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
[
  Zr  Zr0  4  0.0479  0.5000  0.8428  1
  Zr  Zr1  4  0.0617  0.0000  0.3673  1
  Zr  Zr2  4  0.2437  0.5000  0.2407  1
  Pa  Pa3  4  0.1511  0.0000  0.0449  1
  Bi  Bi4  4  0.1444  0.5000  0.5783  1
]