data_[Rb4In4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  In  1.7800  1.5500  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6875]
_cell_length_b [4.4522]
_cell_length_c [5.5707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9399]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbInF3]
_chemical_formula_sum '[Rb4 In4 F12]'
_cell_volume [412.3485]
_cell_formula_units_Z [4]
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  0.1628  0.5000  0.7838  1.0
  In  In1  4  0.0491  0.0000  0.2127  1.0
  F  F2  4  0.0667  0.5000  0.2600  1.0
  F  F3  4  0.0781  0.0000  0.5889  1.0
  F  F4  4  0.1722  0.0000  0.1346  1.0
]