data_[La16Ga4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0443]
_cell_length_b [14.0834]
_cell_length_c [6.3770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2745]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La4GaRu]
_chemical_formula_sum '[La16 Ga4 Ru4]'
_cell_volume [715.3529]
_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
[
  La  La0  8  0.1183  0.8165  0.5779  1.0
  La  La1  8  0.2198  0.5681  0.8265  1.0
  Ga  Ga2  4  0.0000  0.3765  0.7500  1.0
  Ru  Ru3  4  0.0000  0.0046  0.2500  1.0
]