# generated using pymatgen
data_NdThCBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79448788
_cell_length_b   3.79448794
_cell_length_c   15.03554295
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999951
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdThCBr
_chemical_formula_sum   'Nd2 Th2 C2 Br2'
_cell_volume   187.48049691
_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  0.66666700  0.33333300  0.90720161  1.0
  Nd  Nd1  1  0.33333300  0.66666700  0.40720161  1.0
  Th  Th2  1  0.33333300  0.66666700  0.08821825  1.0
  Th  Th3  1  0.66666700  0.33333300  0.58821825  1.0
  C  C4  1  0.00000000  0.00000000  0.00304319  1.0
  C  C5  1  0.00000000  0.00000000  0.50304319  1.0
  Br  Br6  1  0.66666700  0.33333300  0.25153695  1.0
  Br  Br7  1  0.33333300  0.66666700  0.75153695  1.0