data_ZrSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85
_cell_length_b   6.55
_cell_length_c   2.51
_cell_angle_alpha   86.02
_cell_angle_beta   72.51
_cell_angle_gamma   21.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSe2
_chemical_formula_sum   'Zr1 Se2'
_cell_volume   31.39
_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
  Zr  Zr2  1  0.0  0.0  0.0  1.0
  Se  Se0  1  0.07  0.27  0.6  1.0
  Se  Se1  1  0.07  0.27  0.32  1.0

data_ZrSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.14
_cell_length_b   2.51
_cell_length_c   6.55
_cell_angle_alpha   86.02
_cell_angle_beta   80.6
_cell_angle_gamma   64.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSe2
_chemical_formula_sum   'Zr1 Se2'
_cell_volume   31.39
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.4  0.67  0.66  1.0
  Se  Se2  1  0.68  0.39  0.66  1.0

Zr Se Se