data_[Er4Cr2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cr  1.6600  1.4000  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4108]
_cell_length_b [9.7571]
_cell_length_c [6.8287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1069]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2CrCl8]
_chemical_formula_sum '[Er4 Cr2 Cl16]'
_cell_volume [889.9960]
_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  4  0.1912  0.0000  0.6789  1
  Cr  Cr1  2  0.0000  0.0000  0.0000  1
  Cl  Cl2  8  0.0870  0.1782  0.8394  1
  Cl  Cl3  4  0.1320  0.5000  0.2159  1
  Cl  Cl4  4  0.1629  0.0000  0.3150  1
]