data_[Li4Ga4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.5506]
_cell_length_b [4.3465]
_cell_length_c [5.1048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4665]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiGaRu]
_chemical_formula_sum '[Li4 Ga4 Ru4]'
_cell_volume [165.1789]
_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
[
  Li  Li0  4  0.0082  0.0000  0.7549  1.0
  Ga  Ga1  4  0.1761  0.5000  0.7508  1.0
  Ru  Ru2  4  0.1538  0.5000  0.2405  1.0
]