data_[Lu24Ga4Ni8]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [9.0731]
_cell_length_b [9.3260]
_cell_length_c [9.7552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Lu6GaNi2]
_chemical_formula_sum '[Lu24 Ga4 Ni8]'
_cell_volume [825.4456]
_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  0.0000  0.1969  0.2382  1.0
  Lu  Lu1  8  0.1955  0.5000  0.1735  1.0
  Lu  Lu2  8  0.2170  0.3194  0.5000  1.0
  Ga  Ga3  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga4  2  0.0000  0.0000  0.5000  1.0
  Ni  Ni5  4  0.0000  0.3462  0.0000  1.0
  Ni  Ni6  4  0.0000  0.5000  0.3762  1.0
]