data_[Rb4Er2In2F12]
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
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6274]
_cell_length_b [6.8189]
_cell_length_c [11.5041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9662]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb2ErInF6]
_chemical_formula_sum '[Rb4 Er2 In2 F12]'
_cell_volume [426.0466]
_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  0.2654  0.5421  0.7529  1.0
  Er  Er1  2  0.0000  0.0000  0.5000  1.0
  In  In2  2  0.5000  0.0000  0.0000  1.0
  F  F3  4  0.1237  0.5470  0.2187  1.0
  F  F4  4  0.2359  0.2427  0.0619  1.0
  F  F5  4  0.3048  0.6810  0.0403  1.0
]