# generated using pymatgen
data_NdErSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.29298118
_cell_length_b   7.29298112
_cell_length_c   7.29298000
_cell_angle_alpha   32.39184837
_cell_angle_beta   32.39185072
_cell_angle_gamma   32.39185397
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdErSe2
_chemical_formula_sum   'Nd1 Er1 Se2'
_cell_volume   98.96763636
_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
  Nd  Nd0  1  0.00000000  0.00000000  0.00000000  1.0
  Er  Er1  1  0.50000000  0.50000000  0.50000000  1.0
  Se  Se2  1  0.24336036  0.24336036  0.24336036  1.0
  Se  Se3  1  0.75663964  0.75663964  0.75663964  1.0