data_[Lu2Ga4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Ga  1.8100  1.3000  0.7600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.4244]
_cell_length_b [6.3183]
_cell_length_c [5.3394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8736]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LuGa2Ru]
_chemical_formula_sum '[Lu2 Ga4 Ru2]'
_cell_volume [142.0562]
_cell_formula_units_Z [2]
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  2  0.0562  0.2500  0.1516  1.0
  Ga  Ga1  4  0.4071  0.0492  0.7275  1.0
  Ru  Ru2  2  0.1356  0.7500  0.3991  1.0
]