# generated using pymatgen
data_Er2Th(AlNi)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.14354947
_cell_length_b   6.97948812
_cell_length_c   3.78814660
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.78066931
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2Th(AlNi)3
_chemical_formula_sum   'Er2 Th1 Al3 Ni3'
_cell_volume   162.26490779
_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
  Er  Er0  1  0.99891371  0.41534119  0.50000000  1.0
  Er  Er1  1  0.58357252  0.58465881  0.50000000  1.0
  Th  Th2  1  0.42448716  1.00000000  0.50000000  1.0
  Al  Al3  1  0.77783877  1.00000000  0.00000000  1.0
  Al  Al4  1  0.98901349  0.75554735  0.00000000  1.0
  Al  Al5  1  0.23346613  0.24445265  0.00000000  1.0
  Ni  Ni6  1  0.33166837  0.67457962  0.00000000  1.0
  Ni  Ni7  1  0.65708975  0.32542038  0.00000000  1.0
  Ni  Ni8  1  0.00395012  0.00000000  0.50000000  1.0