data_[La6Mg6Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4628]
_cell_length_b [5.1561]
_cell_length_c [5.2443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8101]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3Mg3Ru2]
_chemical_formula_sum '[La6 Mg6 Ru4]'
_cell_volume [414.2366]
_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
[
  La  La0  4  0.1705  0.0000  0.5775  1
  La  La1  2  0.0000  0.0000  0.0000  1
  Mg  Mg2  4  0.1374  0.5000  0.0361  1
  Mg  Mg3  2  0.0000  0.5000  0.5000  1
  Ru  Ru4  4  0.1998  0.0000  0.1158  1
]