data_[Rb6Er2Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7779]
_cell_length_b [8.1910]
_cell_length_c [13.5050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6144]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb3ErCl6]
_chemical_formula_sum '[Rb6 Er2 Cl12]'
_cell_volume [708.0887]
_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  0.2796  0.0668  0.7550  1.0
  Rb  Rb1  2  0.5000  0.0000  0.5000  1.0
  Er  Er2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.1034  0.0490  0.2202  1.0
  Cl  Cl4  4  0.2360  0.7350  0.0704  1.0
  Cl  Cl5  4  0.3231  0.1768  0.0517  1.0
]