data_[Ce6Ga6Ni4]
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 [C2/m]
_cell_length_a [15.9987]
_cell_length_b [4.2519]
_cell_length_c [4.8796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0691]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3Ga3Ni2]
_chemical_formula_sum '[Ce6 Ga6 Ni4]'
_cell_volume [325.7589]
_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
[
  Ce  Ce0  4  0.1554  0.0000  0.0869  1.0
  Ce  Ce1  2  0.0000  0.0000  0.5000  1.0
  Ga  Ga2  4  0.1434  0.5000  0.5752  1.0
  Ga  Ga3  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni4  4  0.2219  0.0000  0.6252  1.0
]