data_[Li2Ca1Pb1F8]
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
  Pb  2.3300  1.8000  1.1225
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.8589]
_cell_length_b [5.2889]
_cell_length_c [7.5747]
_cell_angle_alpha [82.7584]
_cell_angle_beta [88.0313]
_cell_angle_gamma [82.1462]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2CaPbF8]
_chemical_formula_sum '[Li2 Ca1 Pb1 F8]'
_cell_volume [151.8993]
_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  0.4490  0.4574  0.6982  1.0
  Ca  Ca1  1  0.0000  0.0000  0.5000  1.0
  Pb  Pb2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.0734  0.7460  0.2534  1.0
  F  F4  2  0.0973  0.7593  0.7903  1.0
  F  F5  2  0.4260  0.2377  0.9649  1.0
  F  F6  2  0.4442  0.2625  0.4863  1.0
]