data_[Lu4Ga6Ni2]
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 [Cm]
_cell_length_a [10.0313]
_cell_length_b [4.3068]
_cell_length_c [6.8953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.3789]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Lu2Ga3Ni]
_chemical_formula_sum '[Lu4 Ga6 Ni2]'
_cell_volume [220.0542]
_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  0.0389  0.5000  0.2904  1.0
  Lu  Lu1  2  0.4515  0.0000  0.7024  1.0
  Ga  Ga2  2  0.1637  0.0000  0.0921  1.0
  Ga  Ga3  2  0.3237  0.5000  0.8754  1.0
  Ga  Ga4  2  0.3528  0.5000  0.3217  1.0
  Ni  Ni5  2  0.1694  0.0000  0.7179  1.0
]