data_[Rb4Na2Ca2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.4313]
_cell_length_b [6.3550]
_cell_length_c [11.0828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Rb2NaCaF6]
_chemical_formula_sum '[Rb4 Na2 Ca2 F12]'
_cell_volume [369.5167]
_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  0.2478  0.5148  0.7490  1.0
  Na  Na1  2  0.0000  0.0000  0.5000  1.0
  Ca  Ca2  2  0.5000  0.0000  0.0000  1.0
  F  F3  4  0.2052  0.7221  0.4765  1.0
  F  F4  4  0.2549  0.2278  0.4769  1.0
  F  F5  4  0.2986  0.5062  0.2529  1.0
]