# generated using pymatgen
data_Er(ZrSe2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.91884340
_cell_length_b   7.91884282
_cell_length_c   7.91884282
_cell_angle_alpha   57.06693093
_cell_angle_beta   57.06693861
_cell_angle_gamma   57.06692964
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er(ZrSe2)4
_chemical_formula_sum   'Er1 Zr4 Se8'
_cell_volume   327.39274699
_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  0.50000000  0.50000000  0.50000000  1.0
  Zr  Zr1  1  0.00000000  0.50000000  0.50000000  1.0
  Zr  Zr2  1  0.50000000  0.00000000  0.50000000  1.0
  Zr  Zr3  1  0.50000000  0.50000000  0.00000000  1.0
  Zr  Zr4  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se5  1  0.24442466  0.75392619  0.75392619  1.0
  Se  Se6  1  0.24607381  0.24607381  0.75557534  1.0
  Se  Se7  1  0.75557534  0.24607381  0.24607381  1.0
  Se  Se8  1  0.24607381  0.75557534  0.24607381  1.0
  Se  Se9  1  0.25418562  0.25418562  0.25418562  1.0
  Se  Se10  1  0.74581438  0.74581438  0.74581438  1.0
  Se  Se11  1  0.75392619  0.24442466  0.75392619  1.0
  Se  Se12  1  0.75392619  0.75392619  0.24442466  1.0