data_[Ti2Sn2Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Sn  1.9600  1.4500  0.8300
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.4560]
_cell_length_b [4.4560]
_cell_length_c [8.0563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [TiSnOs2]
_chemical_formula_sum '[Ti2 Sn2 Os4]'
_cell_volume [138.5346]
_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  1  0.6667  0.3333  0.1958  1
  Ti  Ti1  1  0.6667  0.3333  0.5575  1
  Sn  Sn2  1  0.0000  0.0000  0.3917  1
  Sn  Sn3  1  0.3333  0.6667  0.0191  1
  Os  Os4  1  0.0000  0.0000  0.7330  1
  Os  Os5  1  0.3333  0.6667  0.3476  1
  Os  Os6  1  0.3333  0.6667  0.6879  1
  Os  Os7  1  0.6667  0.3333  0.8723  1
]