# generated using pymatgen
data_Th10AgSn6Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58923936
_cell_length_b   9.59740557
_cell_length_c   9.59740413
_cell_angle_alpha   120.00000199
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th10AgSn6Br
_chemical_formula_sum   'Th10 Ag1 Sn6 Br1'
_cell_volume   525.62200320
_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
  Th  Th0  1  0.74583903  0.72093548  0.72093548  1.0
  Th  Th1  1  0.25416097  0.27906452  0.27906452  1.0
  Th  Th2  1  0.74583903  1.00000000  0.27906452  1.0
  Th  Th3  1  0.25416097  0.00000000  0.72093548  1.0
  Th  Th4  1  0.74583903  0.27906452  0.00000000  1.0
  Th  Th5  1  0.25416097  0.72093548  1.00000000  1.0
  Th  Th6  1  0.00000000  0.66666700  0.33333300  1.0
  Th  Th7  1  0.00000000  0.33333300  0.66666700  1.0
  Th  Th8  1  0.50000000  0.33333300  0.66666700  1.0
  Th  Th9  1  0.50000000  0.66666700  0.33333300  1.0
  Ag  Ag10  1  0.50000000  0.00000000  0.00000000  1.0
  Sn  Sn11  1  0.74907283  0.37789949  0.37789949  1.0
  Sn  Sn12  1  0.25092717  0.62210051  0.62210051  1.0
  Sn  Sn13  1  0.74907283  0.00000000  0.62210051  1.0
  Sn  Sn14  1  0.25092717  1.00000000  0.37789949  1.0
  Sn  Sn15  1  0.74907283  0.62210051  1.00000000  1.0
  Sn  Sn16  1  0.25092717  0.37789949  0.00000000  1.0
  Br  Br17  1  0.00000000  0.00000000  0.00000000  1.0