data_[Ti16Bi4Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Bi  2.0200  1.6000  1.0350
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9568]
_cell_length_b [4.4025]
_cell_length_c [6.6556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4879]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti8Bi2Os]
_chemical_formula_sum '[Ti16 Bi4 Os2]'
_cell_volume [410.5296]
_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
[
  Ti  Ti0  4  0.0261  0.0000  0.7813  1.0
  Ti  Ti1  4  0.0805  0.5000  0.4163  1.0
  Ti  Ti2  4  0.1516  0.5000  0.9076  1.0
  Ti  Ti3  4  0.1552  0.0000  0.2003  1.0
  Bi  Bi4  4  0.1983  0.0000  0.6678  1.0
  Os  Os5  2  0.0000  0.5000  0.0000  1.0
]