# generated using pymatgen
data_Er5Th(SnIr)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43931496
_cell_length_b   7.47831618
_cell_length_c   7.86152466
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.17314022
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er5Th(SnIr)6
_chemical_formula_sum   'Er5 Th1 Sn6 Ir6'
_cell_volume   378.10622851
_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
  Er  Er0  1  0.40426697  0.00130311  0.25000000  1.0
  Er  Er1  1  0.59350793  0.59245736  0.75000000  1.0
  Er  Er2  1  0.59575204  0.59698692  0.25000000  1.0
  Er  Er3  1  0.00012953  0.40433069  0.75000000  1.0
  Er  Er4  1  0.40642221  0.99882517  0.75000000  1.0
  Th  Th5  1  0.99990595  0.41479861  0.25000000  1.0
  Sn  Sn6  1  0.26488193  0.25861276  0.50174094  1.0
  Sn  Sn7  1  0.26488193  0.25861276  0.99825906  1.0
  Sn  Sn8  1  0.73511651  0.99374801  0.99822718  1.0
  Sn  Sn9  1  0.99998947  0.74679680  0.50670632  1.0
  Sn  Sn10  1  0.73511651  0.99374801  0.50177282  1.0
  Sn  Sn11  1  0.99998947  0.74679680  0.99329368  1.0
  Ir  Ir12  1  0.67132857  0.33288490  0.50110725  1.0
  Ir  Ir13  1  0.67132857  0.33288490  0.99889275  1.0
  Ir  Ir14  1  0.32868978  0.66155528  0.99912811  1.0
  Ir  Ir15  1  0.32868978  0.66155528  0.50087189  1.0
  Ir  Ir16  1  0.00002222  0.00325224  0.75000000  1.0
  Ir  Ir17  1  0.99998164  0.00085042  0.25000000  1.0