# generated using pymatgen
data_ErTa2(Nb2Sn3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77235987
_cell_length_b   5.76816894
_cell_length_c   9.61107539
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.97598910
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErTa2(Nb2Sn3)2
_chemical_formula_sum   'Er1 Ta2 Nb4 Sn6'
_cell_volume   277.20369337
_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  0.99923068  1.0
  Ta  Ta1  1  0.50000000  0.50000000  0.75126077  1.0
  Ta  Ta2  1  0.50000000  0.00000000  0.75126077  1.0
  Nb  Nb3  1  0.00000000  0.50000000  0.75134351  1.0
  Nb  Nb4  1  0.00000000  0.50000000  0.24940510  1.0
  Nb  Nb5  1  0.50000000  0.50000000  0.24929583  1.0
  Nb  Nb6  1  0.50000000  0.00000000  0.24929583  1.0
  Sn  Sn7  1  0.66554988  0.33277444  0.50050988  1.0
  Sn  Sn8  1  0.33445012  0.66722556  0.50050988  1.0
  Sn  Sn9  1  0.66621356  0.33310628  0.99998197  1.0
  Sn  Sn10  1  0.33378644  0.66689372  0.99998197  1.0
  Sn  Sn11  1  0.00000000  0.00000000  0.67397587  1.0
  Sn  Sn12  1  0.00000000  0.00000000  0.32394596  1.0