data_[Cu4Ni4Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2352]
_cell_length_b [3.6836]
_cell_length_c [5.2114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6756]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CuNiOs]
_chemical_formula_sum '[Cu4 Ni4 Os4]'
_cell_volume [149.7622]
_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
[
  Cu  Cu0  2  0.0558  0.0000  0.3220  1
  Cu  Cu1  2  0.2219  0.5000  0.6251  1
  Ni  Ni2  2  0.2245  0.5000  0.1425  1
  Ni  Ni3  2  0.3937  0.0000  0.4695  1
  Os  Os4  2  0.0570  0.0000  0.8270  1
  Os  Os5  2  0.3874  0.0000  0.9664  1
]