data_[Zr4Pa2Bi6]
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 [Pmc2_1]
_cell_length_a [4.1881]
_cell_length_b [11.2613]
_cell_length_c [7.2141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Zr2PaBi3]
_chemical_formula_sum '[Zr4 Pa2 Bi6]'
_cell_volume [340.2356]
_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
[
  Zr  Zr0  2  0.0000  0.2132  0.4845  1
  Zr  Zr1  2  0.5000  0.4682  0.5074  1
  Pa  Pa2  2  0.0000  0.1118  0.0167  1
  Bi  Bi3  2  0.0000  0.3850  0.7961  1
  Bi  Bi4  2  0.5000  0.0695  0.6920  1
  Bi  Bi5  2  0.5000  0.2883  0.2048  1
]