# generated using pymatgen
data_NdThAl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49606439
_cell_length_b   6.49606395
_cell_length_c   4.62102874
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000222
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdThAl6
_chemical_formula_sum   'Nd1 Th1 Al6'
_cell_volume   168.87676598
_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
  Nd  Nd0  1  0.66666700  0.33333300  0.75000000  1.0
  Th  Th1  1  0.33333300  0.66666700  0.25000000  1.0
  Al  Al2  1  0.86040856  0.72081811  0.25000000  1.0
  Al  Al3  1  0.13878964  0.86121036  0.75000000  1.0
  Al  Al4  1  0.72242172  0.86121036  0.75000000  1.0
  Al  Al5  1  0.27918189  0.13959144  0.25000000  1.0
  Al  Al6  1  0.86040856  0.13959144  0.25000000  1.0
  Al  Al7  1  0.13878964  0.27757828  0.75000000  1.0