data_[Er2In8Cl14]
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 [C2/m]
_cell_length_a [21.2961]
_cell_length_b [5.1975]
_cell_length_c [7.5673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2380]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErIn4Cl7]
_chemical_formula_sum '[Er2 In8 Cl14]'
_cell_volume [795.5274]
_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  0.0000  0.0000  0.0000  1
  In  In1  4  0.0845  0.5000  0.6240  1
  In  In2  4  0.1939  0.5000  0.2473  1
  Cl  Cl3  4  0.0811  0.0000  0.3403  1
  Cl  Cl4  4  0.1036  0.0000  0.8822  1
  Cl  Cl5  4  0.2213  0.5000  0.6553  1
  Cl  Cl6  2  0.0000  0.5000  0.0000  1
]