data_[Lu8Ga16]
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 [I4_1/amd]
_cell_length_a [4.2361]
_cell_length_b [4.2361]
_cell_length_c [26.5482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [LuGa2]
_chemical_formula_sum '[Lu8 Ga16]'
_cell_volume [476.3974]
_cell_formula_units_Z [8]
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  0.0000  0.0000  0.4244  1.0
  Ga  Ga1  8  0.0000  0.0000  0.0891  1.0
  Ga  Ga2  8  0.0000  0.0000  0.2495  1.0
]