data_[Rb6Gd2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Gd  1.2000  1.8000  1.0750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.7251]
_cell_length_b [6.7251]
_cell_length_c [9.8493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [Rb3GdF6]
_chemical_formula_sum '[Rb6 Gd2 F12]'
_cell_volume [445.4612]
_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  0.5000  0.2500  1.0
  Rb  Rb1  2  0.0000  0.0000  0.5000  1.0
  Gd  Gd2  2  0.0000  0.0000  0.0000  1.0
  F  F3  8  0.1354  0.3036  0.0000  1.0
  F  F4  4  0.0000  0.0000  0.2267  1.0
]