data_[Li2Ca1Au1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Au  2.5400  1.3500  1.0700
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7165]
_cell_length_b [4.8950]
_cell_length_c [7.0380]
_cell_angle_alpha [87.5543]
_cell_angle_beta [86.7232]
_cell_angle_gamma [86.6527]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2CaAuF8]
_chemical_formula_sum '[Li2 Ca1 Au1 F8]'
_cell_volume [161.8187]
_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
[
  Li  Li0  2  0.4789  0.4746  0.7045  1
  Ca  Ca1  1  0.0000  0.0000  0.5000  1
  Au  Au2  1  0.0000  0.0000  0.0000  1
  F  F3  2  0.1984  0.7961  0.7775  1
  F  F4  2  0.2020  0.7859  0.2356  1
  F  F5  2  0.2862  0.2743  0.9767  1
  F  F6  2  0.3261  0.3043  0.4934  1
]