# generated using pymatgen
data_ErTaNb5Sn6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77668798
_cell_length_b   5.77996676
_cell_length_c   9.62054673
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.01877793
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErTaNb5Sn6
_chemical_formula_sum   'Er1 Ta1 Nb5 Sn6'
_cell_volume   278.13294161
_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  0.00000000  0.00000000  0.00031118  1.0
  Ta  Ta1  1  0.00000000  0.50000000  0.24900213  1.0
  Nb  Nb2  1  0.50000000  0.50000000  0.75077848  1.0
  Nb  Nb3  1  0.50000000  0.00000000  0.75077848  1.0
  Nb  Nb4  1  0.00000000  0.50000000  0.75085983  1.0
  Nb  Nb5  1  0.50000000  0.50000000  0.24892138  1.0
  Nb  Nb6  1  0.50000000  0.00000000  0.24892138  1.0
  Sn  Sn7  1  0.66736681  0.33368340  0.00005630  1.0
  Sn  Sn8  1  0.33263319  0.66631660  0.00005630  1.0
  Sn  Sn9  1  0.66807242  0.33403571  0.49972855  1.0
  Sn  Sn10  1  0.33192758  0.66596429  0.49972855  1.0
  Sn  Sn11  1  0.00000000  0.00000000  0.67615227  1.0
  Sn  Sn12  1  0.00000000  0.00000000  0.32470516  1.0