data_[Mg4Ga4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2383]
_cell_length_b [3.2551]
_cell_length_c [13.2872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [MgGaRu]
_chemical_formula_sum '[Mg4 Ga4 Ru4]'
_cell_volume [183.3114]
_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  0.6090  1.0
  Mg  Mg1  2  0.5000  0.0000  0.7984  1.0
  Ga  Ga2  2  0.0000  0.0000  0.9272  1.0
  Ga  Ga3  2  0.5000  0.0000  0.1290  1.0
  Ru  Ru4  2  0.0000  0.0000  0.2718  1.0
  Ru  Ru5  2  0.5000  0.0000  0.4714  1.0
]