data_[Ti16Ni4Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ni  1.9100  1.3500  0.7400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0933]
_cell_length_b [11.8876]
_cell_length_c [4.5324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9527]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti8Ni2Os]
_chemical_formula_sum '[Ti16 Ni4 Os2]'
_cell_volume [354.4703]
_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  8  0.2078  0.1142  0.0948  1
  Ti  Ti1  4  0.0000  0.2165  0.5000  1
  Ti  Ti2  4  0.1166  0.5000  0.3123  1
  Ni  Ni3  4  0.0000  0.3021  0.0000  1
  Os  Os4  2  0.0000  0.0000  0.5000  1
]