data_[Zr10Ti4Bi10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6307]
_cell_length_b [3.8665]
_cell_length_c [11.6620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8034]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr5Ti2Bi5]
_chemical_formula_sum '[Zr10 Ti4 Bi10]'
_cell_volume [572.4602]
_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  0.1205  0.5000  0.2550  1.0
  Zr  Zr1  4  0.1653  0.5000  0.0025  1.0
  Zr  Zr2  2  0.0000  0.5000  0.5000  1.0
  Ti  Ti3  4  0.0579  0.0000  0.7727  1.0
  Bi  Bi4  4  0.1445  0.0000  0.4736  1.0
  Bi  Bi5  4  0.2102  0.5000  0.7650  1.0
  Bi  Bi6  2  0.0000  0.0000  0.0000  1.0
]