data_[Ga4Ni4Os4]
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 [C2]
_cell_length_a [7.9751]
_cell_length_b [4.5775]
_cell_length_c [5.1767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.2524]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [GaNiOs]
_chemical_formula_sum '[Ga4 Ni4 Os4]'
_cell_volume [159.8242]
_cell_formula_units_Z [4]
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  2  0.0000  0.4179  0.0000  1
  Ga  Ga1  2  0.0000  0.5995  0.5000  1
  Ni  Ni2  4  0.1655  0.0823  0.5047  1
  Os  Os3  4  0.1688  0.9241  0.0114  1
]