data_[Ti36Ga18Os3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ga  1.8100  1.3000  0.7600
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.5797]
_cell_length_b [9.5797]
_cell_length_c [11.7140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ti12Ga6Os]
_chemical_formula_sum '[Ti36 Ga18 Os3]'
_cell_volume [930.9883]
_cell_formula_units_Z [3]
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  18  0.0448  0.8602  0.8123  1
  Ti  Ti1  18  0.0680  0.2157  0.4110  1
  Ga  Ga2  18  0.0286  0.5898  0.7102  1
  Os  Os3  3  0.0000  0.0000  0.0000  1
]