# generated using pymatgen
data_ErTi2(Nb2Sn3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74028825
_cell_length_b   5.74751577
_cell_length_c   9.62953726
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.95840509
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErTi2(Nb2Sn3)2
_chemical_formula_sum   'Er1 Ti2 Nb4 Sn6'
_cell_volume   275.25283439
_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  0.00000000  1.0
  Ti  Ti1  1  0.50000000  0.00000000  0.75093565  1.0
  Ti  Ti2  1  0.50000000  0.00000000  0.24906435  1.0
  Nb  Nb3  1  0.00000000  0.50000000  0.75150505  1.0
  Nb  Nb4  1  0.50000000  0.50000000  0.75150505  1.0
  Nb  Nb5  1  0.00000000  0.50000000  0.24849495  1.0
  Nb  Nb6  1  0.50000000  0.50000000  0.24849495  1.0
  Sn  Sn7  1  0.66331084  0.32662168  0.50000000  1.0
  Sn  Sn8  1  0.33668916  0.67337832  0.50000000  1.0
  Sn  Sn9  1  0.66438850  0.32877601  0.00000000  1.0
  Sn  Sn10  1  0.33561150  0.67122399  0.00000000  1.0
  Sn  Sn11  1  0.00000000  0.00000000  0.68036262  1.0
  Sn  Sn12  1  0.00000000  0.00000000  0.31963738  1.0