data_[Mg4Bi4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Bi  2.0200  1.6000  1.0350
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.9707]
_cell_length_b [3.4590]
_cell_length_c [7.8415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9856]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgBiRu]
_chemical_formula_sum '[Mg4 Bi4 Ru4]'
_cell_volume [245.1311]
_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  0.1903  0.5000  0.7735  1
  Mg  Mg1  2  0.4251  0.5000  0.3200  1
  Bi  Bi2  2  0.2476  0.0000  0.4582  1
  Bi  Bi3  2  0.4845  0.0000  0.9987  1
  Ru  Ru4  2  0.2244  0.0000  0.0736  1
  Ru  Ru5  2  0.4522  0.5000  0.7004  1
]