data_[Li2Ce1Ho1Cl8]
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
  Ho  1.2300  1.7500  1.0410
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2892]
_cell_length_b [8.1424]
_cell_length_c [6.3592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6167]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2CeHoCl8]
_chemical_formula_sum '[Li2 Ce1 Ho1 Cl8]'
_cell_volume [325.0014]
_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  0.2407  0.5000  1.0
  Ce  Ce1  1  0.0000  0.5000  0.0000  1.0
  Ho  Ho2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.2052  0.2379  0.8121  1.0
  Cl  Cl4  2  0.2954  0.0000  0.3097  1.0
  Cl  Cl5  2  0.3043  0.5000  0.3206  1.0
]