# generated using pymatgen
data_Th4Mg3ZnIr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11450750
_cell_length_b   7.19939686
_cell_length_c   8.69332070
_cell_angle_alpha   90.58435166
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th4Mg3ZnIr4
_chemical_formula_sum   'Th4 Mg3 Zn1 Ir4'
_cell_volume   257.49991302
_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
  Th  Th0  1  0.25000000  0.54167979  0.18692417  1.0
  Th  Th1  1  0.75000000  0.45560694  0.81319431  1.0
  Th  Th2  1  0.25000000  0.05167183  0.32327484  1.0
  Th  Th3  1  0.75000000  0.95565157  0.68032523  1.0
  Mg  Mg4  1  0.25000000  0.12810875  0.94464008  1.0
  Mg  Mg5  1  0.75000000  0.87149551  0.05686659  1.0
  Mg  Mg6  1  0.25000000  0.61933832  0.55220824  1.0
  Zn  Zn7  1  0.75000000  0.37482421  0.44242221  1.0
  Ir  Ir8  1  0.75000000  0.76077949  0.37143362  1.0
  Ir  Ir9  1  0.25000000  0.24022690  0.62906850  1.0
  Ir  Ir10  1  0.75000000  0.26283334  0.13129049  1.0
  Ir  Ir11  1  0.25000000  0.73778335  0.86835073  1.0