data_[Rb2Ca2F6]
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 [P2_1/m]
_cell_length_a [4.4731]
_cell_length_b [6.8068]
_cell_length_c [6.7510]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbCaF3]
_chemical_formula_sum '[Rb2 Ca2 F6]'
_cell_volume [197.5407]
_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  2  0.3212  0.7500  0.5953  1.0
  Ca  Ca1  2  0.0001  0.2500  0.9714  1.0
  F  F2  4  0.1045  0.0196  0.2407  1.0
  F  F3  2  0.4990  0.2500  0.9718  1.0
]