data_[Li4Ce8Ga4Se20]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0263]
_cell_length_b [17.8249]
_cell_length_c [11.9406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiCe2GaSe5]
_chemical_formula_sum '[Li4 Ce8 Ga4 Se20]'
_cell_volume [856.9664]
_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
[
  Li  Li0  4  0.0000  0.2129  0.0176  1.0
  Ce  Ce1  4  0.0000  0.1214  0.6818  1.0
  Ce  Ce2  4  0.0000  0.1334  0.3062  1.0
  Ga  Ga3  4  0.0000  0.4326  0.4541  1.0
  Se  Se4  4  0.0000  0.0435  0.0668  1.0
  Se  Se5  4  0.0000  0.2916  0.6680  1.0
  Se  Se6  4  0.0000  0.3137  0.3528  1.0
  Se  Se7  4  0.0000  0.3579  0.9989  1.0
  Se  Se8  4  0.0000  0.4990  0.7777  1.0
]