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 [Amm2]
_cell_length_a [4.2841]
_cell_length_b [2.9244]
_cell_length_c [13.0860]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LiGaRu]
_chemical_formula_sum '[Li4 Ga4 Ru4]'
_cell_volume [163.9490]
_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  2  0.5000  0.0000  0.0567  1.0
  Li  Li1  2  0.5000  0.0000  0.7259  1.0
  Ga  Ga2  2  0.0000  0.0000  0.1949  1.0
  Ga  Ga3  2  0.5000  0.0000  0.3977  1.0
  Ru  Ru4  2  0.0000  0.0000  0.5350  1.0
  Ru  Ru5  2  0.0000  0.0000  0.8637  1.0
]