data_[La4Ga4Ru4]
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 [P2_1/c]
_cell_length_a [6.1791]
_cell_length_b [6.0756]
_cell_length_c [7.3264]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2864]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LaGaRu]
_chemical_formula_sum '[La4 Ga4 Ru4]'
_cell_volume [257.9875]
_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  4  0.2723  0.6409  0.5977  1.0
  Ga  Ga1  4  0.2875  0.1337  0.4770  1.0
  Ru  Ru2  4  0.0763  0.0922  0.7170  1.0
]