# generated using pymatgen
data_ThMgBeIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09814596
_cell_length_b   4.09814596
_cell_length_c   10.45545532
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThMgBeIr2
_chemical_formula_sum   'Th2 Mg2 Be2 Ir4'
_cell_volume   175.59728467
_cell_formula_units_Z   2
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  0.00000000  0.50000000  0.21837613  1.0
  Th  Th1  1  0.50000000  0.00000000  0.78162387  1.0
  Mg  Mg2  1  0.00000000  0.00000000  0.50000000  1.0
  Mg  Mg3  1  0.50000000  0.50000000  0.50000000  1.0
  Be  Be4  1  0.00000000  0.50000000  0.90050178  1.0
  Be  Be5  1  0.50000000  0.00000000  0.09949822  1.0
  Ir  Ir6  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir7  1  0.50000000  0.50000000  0.00000000  1.0
  Ir  Ir8  1  0.00000000  0.50000000  0.67313914  1.0
  Ir  Ir9  1  0.50000000  0.00000000  0.32686086  1.0