data_[Ga3Ni3Os3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.3123]
_cell_length_b [7.3123]
_cell_length_c [2.6658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [GaNiOs]
_chemical_formula_sum '[Ga3 Ni3 Os3]'
_cell_volume [123.4424]
_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
[
  Ga  Ga0  3  0.0000  0.6992  0.5000  1
  Ni  Ni1  3  0.0000  0.3812  0.0000  1
  Os  Os2  2  0.3333  0.6667  0.5000  1
  Os  Os3  1  0.0000  0.0000  0.0000  1
]