data_[Li2Ca1Ce1I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Ce  1.1200  1.8500  1.0800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2123]
_cell_length_b [8.9769]
_cell_length_c [7.5843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1540]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2CaCeI8]
_chemical_formula_sum '[Li2 Ca1 Ce1 I8]'
_cell_volume [489.0563]
_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  2  0.5000  0.2732  0.5000  1.0
  Ca  Ca1  1  0.0000  0.5000  0.0000  1.0
  Ce  Ce2  1  0.0000  0.0000  0.0000  1.0
  I  I3  4  0.2297  0.2402  0.8357  1.0
  I  I4  2  0.2750  0.5000  0.3356  1.0
  I  I5  2  0.2761  0.0000  0.3287  1.0
]