data_[Rb6Ca2F14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ca  1.0000  1.8000  1.1400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2192]
_cell_length_b [9.8087]
_cell_length_c [6.8659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.8413]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Rb3CaF7]
_chemical_formula_sum '[Rb6 Ca2 F14]'
_cell_volume [483.5920]
_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  0.4960  0.2778  0.4844  1.0
  Rb  Rb1  2  0.4925  0.0000  0.9201  1.0
  Ca  Ca2  2  0.0628  0.0000  0.0580  1.0
  F  F3  4  0.0952  0.2381  0.1514  1.0
  F  F4  4  0.3785  0.3049  0.7930  1.0
  F  F5  2  0.1504  0.0000  0.8207  1.0
  F  F6  2  0.3498  0.0000  0.4244  1.0
  F  F7  2  0.3799  0.5000  0.1691  1.0
]