# generated using pymatgen
data_Th7Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.06598300
_cell_length_b   10.06598415
_cell_length_c   6.33054358
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000298
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th7Ir3
_chemical_formula_sum   'Th14 Ir6'
_cell_volume   555.49999103
_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  0.45777063  0.54222937  0.29527688  1.0
  Th  Th1  1  0.08445573  0.54222937  0.29527688  1.0
  Th  Th2  1  0.91554427  0.45777063  0.79527688  1.0
  Th  Th3  1  0.25583184  0.12791542  0.49852219  1.0
  Th  Th4  1  0.54222937  0.08445573  0.79527688  1.0
  Th  Th5  1  0.74416816  0.87208458  -0.00147781  1.0
  Th  Th6  1  0.66666700  0.33333300  0.30428371  1.0
  Th  Th7  1  0.12791542  0.87208458  -0.00147781  1.0
  Th  Th8  1  0.45777063  0.91554427  0.29527688  1.0
  Th  Th9  1  0.54222937  0.45777063  0.79527688  1.0
  Th  Th10  1  0.87208458  0.12791542  0.49852219  1.0
  Th  Th11  1  0.12791542  0.25583184  -0.00147781  1.0
  Th  Th12  1  0.87208458  0.74416816  0.49852219  1.0
  Th  Th13  1  0.33333300  0.66666700  0.80428371  1.0
  Ir  Ir14  1  0.81287308  0.62574616  0.05210569  1.0
  Ir  Ir15  1  0.81287308  0.18712692  0.05210569  1.0
  Ir  Ir16  1  0.62574616  0.81287308  0.55210569  1.0
  Ir  Ir17  1  0.37425384  0.18712692  0.05210569  1.0
  Ir  Ir18  1  0.18712692  0.37425384  0.55210569  1.0
  Ir  Ir19  1  0.18712692  0.81287308  0.55210569  1.0