data_[Cs1Er1Cr2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P-1]
_cell_length_a [6.7741]
_cell_length_b [6.8575]
_cell_length_c [9.1690]
_cell_angle_alpha [109.4448]
_cell_angle_beta [94.6917]
_cell_angle_gamma [111.1716]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsEr(CrCl4)2]
_chemical_formula_sum '[Cs1 Er1 Cr2 Cl8]'
_cell_volume [364.5117]
_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
[
  Cs  Cs0  1  0.0000  0.5000  0.5000  1.0
  Er  Er1  1  0.0000  0.0000  0.0000  1.0
  Cr  Cr2  2  0.4284  0.8180  0.2934  1.0
  Cl  Cl3  2  0.1725  0.0546  0.7631  1.0
  Cl  Cl4  2  0.2615  0.8116  0.0539  1.0
  Cl  Cl5  2  0.2969  0.4110  0.1888  1.0
  Cl  Cl6  2  0.4411  0.1783  0.4543  1.0
]