data_[Li2Er2In4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2197]
_cell_length_b [7.3744]
_cell_length_c [12.5433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9517]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiEr(InCl3)2]
_chemical_formula_sum '[Li2 Er2 In4 Cl12]'
_cell_volume [547.3670]
_cell_formula_units_Z [2]
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  0.0000  0.0000  1
  Er  Er1  2  0.0000  0.0000  0.5000  1
  In  In2  4  0.2636  0.0560  0.2529  1
  Cl  Cl3  4  0.1842  0.0119  0.7509  1
  Cl  Cl4  4  0.2411  0.7118  0.5334  1
  Cl  Cl5  4  0.3238  0.2081  0.5330  1
]