data_[Mg4Os4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Os  2.2000  1.3000  0.6730
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.4794]
_cell_length_b [2.8000]
_cell_length_c [14.5238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [MgOsRu]
_chemical_formula_sum '[Mg4 Os4 Ru4]'
_cell_volume [182.1620]
_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
[
  Mg  Mg0  2  0.0000  0.0000  0.9537  1
  Mg  Mg1  2  0.5000  0.0000  0.3904  1
  Os  Os2  2  0.0000  0.0000  0.2737  1
  Ru  Ru3  2  0.0000  0.0000  0.6213  1
  Ru  Ru4  2  0.5000  0.0000  0.0674  1
  Os  Os5  2  0.5000  0.0000  0.7205  1
]