data_[Lu6Ga4Ni8]
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 [C2/m]
_cell_length_a [9.4531]
_cell_length_b [4.0588]
_cell_length_c [8.0424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3661]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Lu3(GaNi2)2]
_chemical_formula_sum '[Lu6 Ga4 Ni8]'
_cell_volume [306.0233]
_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  4  0.1253  0.5000  0.3822  1.0
  Lu  Lu1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.1796  0.5000  0.7805  1.0
  Ni  Ni3  4  0.0828  0.0000  0.6305  1.0
  Ni  Ni4  4  0.2272  0.5000  0.0860  1.0
]