data_[Mg2Sb4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sb  2.0500  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7460]
_cell_length_b [3.2115]
_cell_length_c [6.3823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8651]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgSb2Ru]
_chemical_formula_sum '[Mg2 Sb4 Ru2]'
_cell_volume [187.8732]
_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
[
  Mg  Mg0  2  0.0739  0.5000  0.6471  1
  Sb  Sb1  2  0.2210  0.5000  0.2665  1
  Sb  Sb2  2  0.4103  0.5000  0.9675  1
  Ru  Ru3  2  0.2948  0.0000  0.6189  1
]