data_[Lu6Ga20Ni2]
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 [15.6233]
_cell_length_b [4.1607]
_cell_length_c [9.8652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.2597]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Lu3Ga10Ni]
_chemical_formula_sum '[Lu6 Ga20 Ni2]'
_cell_volume [510.3947]
_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  0.1847  0.5000  0.6864  1.0
  Lu  Lu1  2  0.3178  0.0000  0.3281  1.0
  Lu  Lu2  2  0.4969  0.5000  0.9919  1.0
  Ga  Ga3  2  0.0002  0.0000  0.5009  1.0
  Ga  Ga4  2  0.1516  0.0000  0.8756  1.0
  Ga  Ga5  2  0.1537  0.5000  0.2771  1.0
  Ga  Ga6  2  0.1562  0.5000  0.0316  1.0
  Ga  Ga7  2  0.1653  0.0000  0.4465  1.0
  Ga  Ga8  2  0.3437  0.0000  0.9467  1.0
  Ga  Ga9  2  0.3446  0.5000  0.5867  1.0
  Ga  Ga10  2  0.3491  0.5000  0.1203  1.0
  Ga  Ga11  2  0.4954  0.0000  0.2888  1.0
  Ga  Ga12  2  0.4960  0.0000  0.7089  1.0
  Ni  Ni13  2  0.3447  0.0000  0.7105  1.0
]