data_[Zr6Sn8Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [7.6788]
_cell_length_b [7.6788]
_cell_length_c [11.9314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Zr3(SnBi)4]
_chemical_formula_sum '[Zr6 Sn8 Bi8]'
_cell_volume [703.5295]
_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  4  0.0000  0.5000  0.2500  1
  Zr  Zr1  2  0.0000  0.0000  0.0000  1
  Sn  Sn2  8  0.2085  0.2085  0.1504  1
  Bi  Bi3  4  0.0000  0.0000  0.3189  1
  Bi  Bi4  4  0.0000  0.5000  0.0000  1
]