data_[Lu20Ga12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3985]
_cell_length_b [14.5742]
_cell_length_c [6.3310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6439]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Lu5Ga3]
_chemical_formula_sum '[Lu20 Ga12]'
_cell_volume [774.6048]
_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
[
  Lu  Lu0  8  0.1247  0.3801  0.7374  1.0
  Lu  Lu1  4  0.0000  0.1468  0.5000  1.0
  Lu  Lu2  4  0.0000  0.1843  0.0000  1.0
  Lu  Lu3  4  0.2317  0.5000  0.2295  1.0
  Ga  Ga4  8  0.1999  0.2982  0.2864  1.0
  Ga  Ga5  4  0.0915  0.0000  0.1902  1.0
]