# generated using pymatgen
data_Er3ThMgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.71478117
_cell_length_b   9.71476482
_cell_length_c   9.71468395
_cell_angle_alpha   59.99990719
_cell_angle_beta   59.99983635
_cell_angle_gamma   59.99975801
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er3ThMgIr
_chemical_formula_sum   'Er12 Th4 Mg4 Ir4'
_cell_volume   648.30199219
_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  0.81290250  0.18709992  0.18709399  1.0
  Er  Er1  1  0.18709897  0.81289349  0.81290446  1.0
  Er  Er2  1  0.18710010  0.81290099  0.18709260  1.0
  Er  Er3  1  0.81289828  0.18709555  0.81290543  1.0
  Er  Er4  1  0.18709575  0.18709451  0.81290930  1.0
  Er  Er5  1  0.81290923  0.81290773  0.18708495  1.0
  Er  Er6  1  0.93412469  0.56586978  0.56587496  1.0
  Er  Er7  1  0.56586132  0.93413787  0.93413740  1.0
  Er  Er8  1  0.56586665  0.93413051  0.56587029  1.0
  Er  Er9  1  0.93413217  0.56586823  0.93413943  1.0
  Er  Er10  1  0.56585950  0.56586043  0.93414139  1.0
  Er  Er11  1  0.93412649  0.93413341  0.56587186  1.0
  Th  Th12  1  0.34845370  0.34845774  0.34843590  1.0
  Th  Th13  1  0.34844374  0.34844484  0.95466333  1.0
  Th  Th14  1  0.34845457  0.95465373  0.34843180  1.0
  Th  Th15  1  0.95465325  0.34845771  0.34843158  1.0
  Mg  Mg16  1  0.58136688  0.58135575  0.58135504  1.0
  Mg  Mg17  1  0.58135600  0.58134364  0.25594121  1.0
  Mg  Mg18  1  0.58136360  0.25593828  0.58133831  1.0
  Mg  Mg19  1  0.25593948  0.58135842  0.58134612  1.0
  Ir  Ir20  1  0.14221838  0.14222187  0.14221654  1.0
  Ir  Ir21  1  0.14220490  0.14220715  0.57337624  1.0
  Ir  Ir22  1  0.14221309  0.57334870  0.14221587  1.0
  Ir  Ir23  1  0.57335076  0.14221375  0.14221597  1.0