data_[Rb4Er2Cu2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4641]
_cell_length_b [11.3680]
_cell_length_c [7.1503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.7344]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2ErCuCl6]
_chemical_formula_sum '[Rb4 Er2 Cu2 Cl12]'
_cell_volume [591.5939]
_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
[
  Rb  Rb0  4  0.0000  0.2570  0.5000  1.0
  Er  Er1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl3  4  0.0000  0.2303  0.0000  1.0
  Cl  Cl4  4  0.1731  0.5000  0.8943  1.0
  Cl  Cl5  4  0.1805  0.0000  0.4662  1.0
]