# generated using pymatgen
data_Ca5Pb3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.50083289
_cell_length_b   9.50083286
_cell_length_c   9.50083245
_cell_angle_alpha   128.27856406
_cell_angle_beta   128.27856277
_cell_angle_gamma   76.17419859
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Pb3F
_chemical_formula_sum   'Ca10 Pb6 F2'
_cell_volume   513.69093072
_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
  Ca  Ca0  1  0.50000000  0.50000000  0.00000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca2  1  0.50600769  0.00600769  0.81565205  1.0
  Ca  Ca3  1  0.19035565  0.69035565  0.18434795  1.0
  Ca  Ca4  1  0.00600769  0.19035565  0.50000000  1.0
  Ca  Ca5  1  0.69035565  0.50600769  0.50000000  1.0
  Ca  Ca6  1  0.49399231  0.99399231  0.18434795  1.0
  Ca  Ca7  1  0.80964435  0.30964435  0.81565205  1.0
  Ca  Ca8  1  0.99399231  0.80964435  0.50000000  1.0
  Ca  Ca9  1  0.30964435  0.49399231  0.50000000  1.0
  Pb  Pb10  1  0.25000000  0.25000000  0.00000000  1.0
  Pb  Pb11  1  0.75000000  0.75000000  0.00000000  1.0
  Pb  Pb12  1  0.86786230  0.36786230  0.23572561  1.0
  Pb  Pb13  1  0.13213770  0.63213770  0.76427539  1.0
  Pb  Pb14  1  0.36786230  0.13213770  0.50000000  1.0
  Pb  Pb15  1  0.63213770  0.86786230  0.50000000  1.0
  F  F16  1  0.25000000  0.75000000  0.50000000  1.0
  F  F17  1  0.75000000  0.25000000  0.50000000  1.0