data_[K2Rb4Er2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Er  1.2400  1.7500  1.0300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6770]
_cell_length_b [8.0399]
_cell_length_c [13.3632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6765]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KRb2ErCl6]
_chemical_formula_sum '[K2 Rb4 Er2 Cl12]'
_cell_volume [678.3010]
_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  0.2746  0.0651  0.2530  1
  K  K1  2  0.5000  0.0000  0.0000  1
  Er  Er2  2  0.0000  0.0000  0.5000  1
  Cl  Cl3  4  0.1254  0.0362  0.7273  1
  Cl  Cl4  4  0.2334  0.7290  0.5584  1
  Cl  Cl5  4  0.3234  0.1820  0.5473  1
]