# generated using pymatgen
data_Er2PSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98031233
_cell_length_b   6.98031249
_cell_length_c   6.98031236
_cell_angle_alpha   33.02779960
_cell_angle_beta   33.02780149
_cell_angle_gamma   33.02780308
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er2PSe
_chemical_formula_sum   'Er2 P1 Se1'
_cell_volume   89.92040379
_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  0.25745687  0.25745687  0.25745687  1.0
  Er  Er1  1  0.74254313  0.74254313  0.74254313  1.0
  P  P2  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se3  1  0.50000000  0.50000000  0.50000000  1.0