data_[Ti16Co4Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Co  1.8800  1.3500  0.7683
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9850]
_cell_length_b [11.7119]
_cell_length_c [4.5609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti8Co2Os]
_chemical_formula_sum '[Ti16 Co4 Os2]'
_cell_volume [350.1299]
_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  0.2073  0.1179  0.0835  1
  Ti  Ti1  4  0.0000  0.2224  0.5000  1
  Ti  Ti2  4  0.1189  0.5000  0.3193  1
  Co  Co3  4  0.0000  0.3012  0.0000  1
  Os  Os4  2  0.0000  0.0000  0.5000  1
]