# generated using pymatgen
data_NdMgTl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.70915055
_cell_length_b   7.70915055
_cell_length_c   4.73702813
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999801
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdMgTl
_chemical_formula_sum   'Nd3 Mg3 Tl3'
_cell_volume   243.80895774
_cell_formula_units_Z   3
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  0.57442431  1.00000000  -0.00000000  1.0
  Nd  Nd1  1  1.00000000  0.57442431  -0.00000000  1.0
  Nd  Nd2  1  0.42557569  0.42557569  0.00000000  1.0
  Mg  Mg3  1  0.24278715  0.00000000  0.50000000  1.0
  Mg  Mg4  1  0.00000000  0.24278715  0.50000000  1.0
  Mg  Mg5  1  0.75721285  0.75721285  0.50000000  1.0
  Tl  Tl6  1  0.33333300  0.66666700  0.50000000  1.0
  Tl  Tl7  1  0.66666700  0.33333300  0.50000000  1.0
  Tl  Tl8  1  -0.00000000  -0.00000000  -0.00000000  1.0