# generated using pymatgen
data_ZrSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77994874
_cell_length_b   5.48036738
_cell_length_c   9.71167102
_cell_angle_alpha   97.60714112
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSe3
_chemical_formula_sum   'Zr2 Se6'
_cell_volume   199.41160182
_cell_formula_units_Z   2
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
  Zr  Zr0  1  0.75000000  0.28554667  0.65320919  1.0
  Zr  Zr1  1  0.25000000  0.71445333  0.34679081  1.0
  Se  Se2  1  0.25000000  0.11356421  0.82422037  1.0
  Se  Se3  1  0.75000000  0.88643579  0.17577963  1.0
  Se  Se4  1  0.25000000  0.54086716  0.82161737  1.0
  Se  Se5  1  0.75000000  0.45913284  0.17838263  1.0
  Se  Se6  1  0.25000000  0.23775297  0.44726858  1.0
  Se  Se7  1  0.75000000  0.76224703  0.55273142  1.0