# generated using pymatgen
data_YThBIr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88224270
_cell_length_b   5.88224234
_cell_length_c   5.88224101
_cell_angle_alpha   59.99999084
_cell_angle_beta   59.99999284
_cell_angle_gamma   59.99999323
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YThBIr6
_chemical_formula_sum   'Y1 Th1 B1 Ir6'
_cell_volume   143.91749582
_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
  Y  Y0  1  0.75000000  0.75000000  0.75000000  1.0
  Th  Th1  1  0.25000000  0.25000000  0.25000000  1.0
  B  B2  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir3  1  0.74242142  0.74242142  0.25757858  1.0
  Ir  Ir4  1  0.25757858  0.74242142  0.25757858  1.0
  Ir  Ir5  1  0.74242142  0.25757858  0.25757858  1.0
  Ir  Ir6  1  0.25757858  0.25757858  0.74242142  1.0
  Ir  Ir7  1  0.74242142  0.25757858  0.74242142  1.0
  Ir  Ir8  1  0.25757858  0.74242142  0.74242142  1.0