# generated using pymatgen
data_ThMgIr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33003110
_cell_length_b   5.33003162
_cell_length_c   5.33003057
_cell_angle_alpha   60.00000040
_cell_angle_beta   59.99999717
_cell_angle_gamma   59.99999075
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThMgIr4
_chemical_formula_sum   'Th1 Mg1 Ir4'
_cell_volume   107.07157549
_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  0.00000000  0.00000000  0.00000000  1.0
  Mg  Mg1  1  0.25000000  0.25000000  0.25000000  1.0
  Ir  Ir2  1  0.62410841  0.62410841  0.62410841  1.0
  Ir  Ir3  1  0.12767577  0.62410841  0.62410841  1.0
  Ir  Ir4  1  0.62410841  0.12767577  0.62410841  1.0
  Ir  Ir5  1  0.62410841  0.62410841  0.12767577  1.0