data_[Ni2Mo2Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Mo  2.1600  1.4500  0.7750
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.6948]
_cell_length_b [2.7231]
_cell_length_c [6.6343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2762]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [NiMoOs]
_chemical_formula_sum '[Ni2 Mo2 Os2]'
_cell_volume [82.5493]
_cell_formula_units_Z [2]
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
[
  Ni  Ni0  1  0.6260  0.5000  0.6111  1.0
  Ni  Ni1  1  0.8319  0.5000  0.2847  1.0
  Mo  Mo2  1  0.1243  0.0000  0.6114  1.0
  Mo  Mo3  1  0.8947  0.0000  0.9519  1.0
  Os  Os4  1  0.3444  0.0000  0.2799  1.0
  Os  Os5  1  0.4055  0.5000  0.9503  1.0
]