data_[Ti4Tc3Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Tc  1.9000  1.3500  0.7417
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3592]
_cell_length_b [4.3592]
_cell_length_c [8.1500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ti4Tc3Os2]
_chemical_formula_sum '[Ti4 Tc3 Os2]'
_cell_volume [134.1251]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.3258  1
  Ti  Ti1  2  0.3333  0.6667  0.1083  1
  Tc  Tc2  2  0.3333  0.6667  0.4487  1
  Tc  Tc3  1  0.0000  0.0000  0.0000  1
  Os  Os4  2  0.3333  0.6667  0.7758  1
]