data_[Er2In4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [7.1827]
_cell_length_b [7.3716]
_cell_length_c [13.3792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9588]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Er(InCl3)2]
_chemical_formula_sum '[Er2 In4 Cl12]'
_cell_volume [607.4796]
_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
[
  Er  Er0  2  0.5000  0.0000  0.5000  1
  In  In1  4  0.1871  0.5272  0.1956  1
  Cl  Cl2  4  0.1810  0.6924  0.9865  1
  Cl  Cl3  4  0.1998  0.2293  0.3537  1
  Cl  Cl4  4  0.4857  0.6723  0.8217  1
]