data_[Lu3Ge3Ru3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Ge  2.0100  1.2500  0.7700
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.0933]
_cell_length_b [7.0933]
_cell_length_c [3.6569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [LuGeRu]
_chemical_formula_sum '[Lu3 Ge3 Ru3]'
_cell_volume [159.3465]
_cell_formula_units_Z [3]
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
[
  Lu  Lu0  3  0.0000  0.4011  0.0000  1.0
  Ge  Ge1  2  0.3333  0.6667  0.5000  1.0
  Ge  Ge2  1  0.0000  0.0000  0.0000  1.0
  Ru  Ru3  3  0.0000  0.7534  0.5000  1.0
]