data_[Li1Ce4Ga5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.2734]
_cell_length_b [3.2734]
_cell_length_c [20.1114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [LiCe4Ga5]
_chemical_formula_sum '[Li1 Ce4 Ga5]'
_cell_volume [215.4947]
_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
[
  Li  Li0  1  0.0000  0.0000  0.0000  1.0
  Ce  Ce1  2  0.0000  0.0000  0.1784  1.0
  Ce  Ce2  2  0.0000  0.0000  0.3926  1.0
  Ga  Ga3  2  0.5000  0.5000  0.0704  1.0
  Ga  Ga4  2  0.5000  0.5000  0.2852  1.0
  Ga  Ga5  1  0.5000  0.5000  0.5000  1.0
]