# generated using pymatgen
data_Y10PtPb6Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18295914
_cell_length_b   9.18296021
_cell_length_c   6.78439257
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999266
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y10PtPb6Br
_chemical_formula_sum   'Y10 Pt1 Pb6 Br1'
_cell_volume   495.45816298
_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
  Y  Y0  1  1.00000000  0.74457271  0.73646958  1.0
  Y  Y1  1  0.33333300  0.66666700  0.50000000  1.0
  Y  Y2  1  0.33333300  0.66666700  0.00000000  1.0
  Y  Y3  1  0.74457271  0.74457271  0.26353042  1.0
  Y  Y4  1  0.25542729  0.25542729  0.73646958  1.0
  Y  Y5  1  0.00000000  0.25542729  0.26353042  1.0
  Y  Y6  1  0.66666700  0.33333300  0.50000000  1.0
  Y  Y7  1  0.25542729  0.00000000  0.26353042  1.0
  Y  Y8  1  0.74457271  1.00000000  0.73646958  1.0
  Y  Y9  1  0.66666700  0.33333300  0.00000000  1.0
  Pt  Pt10  1  0.00000000  0.00000000  0.50000000  1.0
  Pb  Pb11  1  0.39243531  0.00000000  0.75189708  1.0
  Pb  Pb12  1  0.39243531  0.39243531  0.24810292  1.0
  Pb  Pb13  1  0.60756469  0.60756469  0.75189708  1.0
  Pb  Pb14  1  1.00000000  0.60756469  0.24810292  1.0
  Pb  Pb15  1  0.00000000  0.39243531  0.75189708  1.0
  Pb  Pb16  1  0.60756469  1.00000000  0.24810292  1.0
  Br  Br17  1  0.00000000  0.00000000  0.00000000  1.0