data_[Ce6Ga6Ni6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [12.3517]
_cell_length_b [3.9310]
_cell_length_c [6.9335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [CeGaNi]
_chemical_formula_sum '[Ce6 Ga6 Ni6]'
_cell_volume [336.6506]
_cell_formula_units_Z [6]
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
[
  Ce  Ce0  4  0.0400  0.0000  0.7410  1
  Ce  Ce1  2  0.2500  0.0000  0.1112  1
  Ga  Ga2  4  0.1376  0.5000  0.4137  1
  Ga  Ga3  2  0.2500  0.5000  0.7696  1
  Ni  Ni4  4  0.0983  0.5000  0.0435  1
  Ni  Ni5  2  0.2500  0.0000  0.5359  1
]