# generated using pymatgen
data_Nd3Th2Bi3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.61726764
_cell_length_b   9.61726774
_cell_length_c   6.61601490
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999966
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3Th2Bi3Cl
_chemical_formula_sum   'Nd6 Th4 Bi6 Cl2'
_cell_volume   529.94465598
_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
  Nd  Nd0  1  0.27015003  0.00000000  0.75000000  1.0
  Nd  Nd1  1  0.72984997  0.00000000  0.25000000  1.0
  Nd  Nd2  1  0.00000000  0.27015003  0.75000000  1.0
  Nd  Nd3  1  1.00000000  0.72984997  0.25000000  1.0
  Nd  Nd4  1  0.72984997  0.72984997  0.75000000  1.0
  Nd  Nd5  1  0.27015003  0.27015003  0.25000000  1.0
  Th  Th6  1  0.33333300  0.66666700  0.50000000  1.0
  Th  Th7  1  0.66666700  0.33333300  0.50000000  1.0
  Th  Th8  1  0.66666700  0.33333300  0.00000000  1.0
  Th  Th9  1  0.33333300  0.66666700  0.00000000  1.0
  Bi  Bi10  1  0.61722545  0.00000000  0.75000000  1.0
  Bi  Bi11  1  0.38277455  0.00000000  0.25000000  1.0
  Bi  Bi12  1  0.00000000  0.61722545  0.75000000  1.0
  Bi  Bi13  1  1.00000000  0.38277455  0.25000000  1.0
  Bi  Bi14  1  0.38277455  0.38277455  0.75000000  1.0
  Bi  Bi15  1  0.61722545  0.61722545  0.25000000  1.0
  Cl  Cl16  1  0.00000000  0.00000000  0.50000000  1.0
  Cl  Cl17  1  0.00000000  0.00000000  0.00000000  1.0