data_[Rb3Ca1F6]
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 [P-1]
_cell_length_a [5.8341]
_cell_length_b [6.7305]
_cell_length_c [6.8715]
_cell_angle_alpha [95.2262]
_cell_angle_beta [114.1490]
_cell_angle_gamma [114.8695]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb3CaF6]
_chemical_formula_sum '[Rb3 Ca1 F6]'
_cell_volume [211.7895]
_cell_formula_units_Z [1]
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  2  0.4595  0.6936  0.2221  1.0
  Rb  Rb1  1  0.0000  0.5000  0.5000  1.0
  Ca  Ca2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.0579  0.2841  0.8375  1.0
  F  F4  2  0.2173  0.2709  0.3277  1.0
  F  F5  2  0.4862  0.1058  0.1249  1.0
]