# generated using pymatgen
data_Er3ThMgNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.59460830
_cell_length_b   9.59460812
_cell_length_c   9.59460761
_cell_angle_alpha   59.99999835
_cell_angle_beta   59.99999895
_cell_angle_gamma   60.00000264
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er3ThMgNi
_chemical_formula_sum   'Er12 Th4 Mg4 Ni4'
_cell_volume   624.54927807
_cell_formula_units_Z   4
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  0.81432254  0.18567746  0.18567746  1.0
  Er  Er1  1  0.18567746  0.81432254  0.81432254  1.0
  Er  Er2  1  0.18567746  0.81432254  0.18567746  1.0
  Er  Er3  1  0.81432254  0.18567746  0.81432254  1.0
  Er  Er4  1  0.18567746  0.18567746  0.81432254  1.0
  Er  Er5  1  0.81432254  0.81432254  0.18567746  1.0
  Er  Er6  1  0.93316426  0.56683574  0.56683574  1.0
  Er  Er7  1  0.56683574  0.93316426  0.93316426  1.0
  Er  Er8  1  0.56683574  0.93316426  0.56683574  1.0
  Er  Er9  1  0.93316426  0.56683574  0.93316426  1.0
  Er  Er10  1  0.56683574  0.56683574  0.93316426  1.0
  Er  Er11  1  0.93316426  0.93316426  0.56683574  1.0
  Th  Th12  1  0.34606416  0.34606416  0.34606416  1.0
  Th  Th13  1  0.34606416  0.34606416  0.96181051  1.0
  Th  Th14  1  0.34606416  0.96181051  0.34606416  1.0
  Th  Th15  1  0.96181051  0.34606416  0.34606416  1.0
  Mg  Mg16  1  0.58041881  0.58041881  0.58041881  1.0
  Mg  Mg17  1  0.58041881  0.58041881  0.25874258  1.0
  Mg  Mg18  1  0.58041881  0.25874258  0.58041881  1.0
  Mg  Mg19  1  0.25874258  0.58041881  0.58041881  1.0
  Ni  Ni20  1  0.14293000  0.14293000  0.14293000  1.0
  Ni  Ni21  1  0.14293000  0.14293000  0.57120901  1.0
  Ni  Ni22  1  0.14293000  0.57120901  0.14293000  1.0
  Ni  Ni23  1  0.57120901  0.14293000  0.14293000  1.0