data_[Rb8Li4Ca4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5820]
_cell_length_b [14.7932]
_cell_length_c [11.8466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2LiCaF5]
_chemical_formula_sum '[Rb8 Li4 Ca4 F20]'
_cell_volume [627.7396]
_cell_formula_units_Z [4]
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  0.1064  0.6955  1.0
  Rb  Rb1  4  0.0000  0.1312  0.2997  1.0
  Li  Li2  4  0.0000  0.4991  0.9677  1.0
  Ca  Ca3  4  0.0000  0.2027  0.0064  1.0
  F  F4  4  0.0000  0.0465  0.0232  1.0
  F  F5  4  0.0000  0.2914  0.6304  1.0
  F  F6  4  0.0000  0.3021  0.3864  1.0
  F  F7  4  0.0000  0.3610  0.0018  1.0
  F  F8  4  0.0000  0.4981  0.3128  1.0
]