data_[La1Gd1Ga2Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Gd  1.2000  1.8000  1.0750
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.1877]
_cell_length_b [4.1877]
_cell_length_c [9.2006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [LaGd(GaNi2)2]
_chemical_formula_sum '[La1 Gd1 Ga2 Ni4]'
_cell_volume [139.7322]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.5000  1
  Gd  Gd1  1  0.0000  0.0000  0.0000  1
  Ga  Ga2  2  0.6667  0.3333  0.2390  1
  Ni  Ni3  2  0.0000  0.0000  0.2974  1
  Ni  Ni4  2  0.3333  0.6667  0.1879  1
]