data_[La4Ce4Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.8013]
_cell_length_b [4.2246]
_cell_length_c [11.2141]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LaCeGa2]
_chemical_formula_sum '[La4 Ce4 Ga8]'
_cell_volume [416.9594]
_cell_formula_units_Z [4]
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  4  0.1398  0.2500  0.8519  1.0
  Ce  Ce1  4  0.0172  0.7500  0.5785  1.0
  Ga  Ga2  4  0.1433  0.2500  0.1802  1.0
  Ga  Ga3  4  0.2246  0.7500  0.0610  1.0
]