data_[La2Ga2Ni2]
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 [P2_1/m]
_cell_length_a [4.1789]
_cell_length_b [4.1846]
_cell_length_c [6.7959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaGaNi]
_chemical_formula_sum '[La2 Ga2 Ni2]'
_cell_volume [118.8217]
_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  0.2524  0.7500  0.3101  1.0
  Ga  Ga1  2  0.2538  0.7500  0.8235  1.0
  Ni  Ni2  2  0.2390  0.2500  0.9988  1.0
]