# generated using pymatgen
data_Ca5Sn2PbF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.47467471
_cell_length_b   9.47467426
_cell_length_c   9.47467536
_cell_angle_alpha   128.71473399
_cell_angle_beta   128.71473360
_cell_angle_gamma   75.47001268
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Sn2PbF
_chemical_formula_sum   'Ca10 Sn4 Pb2 F2'
_cell_volume   503.88851045
_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  0.50780745  0.00780745  0.81803685  1.0
  Ca  Ca3  1  0.18976960  0.68976960  0.18196315  1.0
  Ca  Ca4  1  0.00780745  0.18976960  0.50000000  1.0
  Ca  Ca5  1  0.68976960  0.50780745  0.50000000  1.0
  Ca  Ca6  1  0.49219255  0.99219255  0.18196315  1.0
  Ca  Ca7  1  0.81023040  0.31023040  0.81803685  1.0
  Ca  Ca8  1  0.99219255  0.81023040  0.50000000  1.0
  Ca  Ca9  1  0.31023040  0.49219255  0.50000000  1.0
  Sn  Sn10  1  0.87239800  0.37239800  0.24479701  1.0
  Sn  Sn11  1  0.12760200  0.62760200  0.75520299  1.0
  Sn  Sn12  1  0.37239800  0.12760200  0.50000000  1.0
  Sn  Sn13  1  0.62760200  0.87239800  0.50000000  1.0
  Pb  Pb14  1  0.25000000  0.25000000  0.00000000  1.0
  Pb  Pb15  1  0.75000000  0.75000000  0.00000000  1.0
  F  F16  1  0.25000000  0.75000000  0.50000000  1.0
  F  F17  1  0.75000000  0.25000000  0.50000000  1.0