data_[La2Ga6Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.0860]
_cell_length_b [6.1094]
_cell_length_c [6.0221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LaGa3Ni]
_chemical_formula_sum '[La2 Ga6 Ni2]'
_cell_volume [196.3276]
_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
[
  La  La0  2  0.0000  0.0022  0.0000  1.0
  Ga  Ga1  4  0.1054  0.4993  0.2470  1.0
  Ga  Ga2  2  0.0000  0.7745  0.5000  1.0
  Ni  Ni3  2  0.0000  0.2238  0.5000  1.0
]