data_[Rb8Ca8F24]
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 [Cmcm]
_cell_length_a [12.5769]
_cell_length_b [9.6433]
_cell_length_c [6.0982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [RbCaF3]
_chemical_formula_sum '[Rb8 Ca8 F24]'
_cell_volume [739.6033]
_cell_formula_units_Z [8]
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  0.0000  0.0465  0.7500  1
  Rb  Rb1  4  0.0000  0.3554  0.2500  1
  Ca  Ca2  8  0.2196  0.3429  0.7500  1
  F  F3  16  0.1445  0.1860  0.0002  1
  F  F4  8  0.1539  0.5000  0.0000  1
]