data_ZrSbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   5.69
_cell_angle_alpha   98.07
_cell_angle_beta   98.07
_cell_angle_gamma   42.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSbSe2
_chemical_formula_sum   'Zr1 Sb1 Se2'
_cell_volume   94.84
_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  Zr3  1  0.0  0.0  0.0  1.0
  Sb  Sb0  1  0.21  0.0  0.81  1.0
  Se  Se1  1  0.39  0.0  0.13  1.0
  Se  Se2  1  0.03  0.0  0.5  1.0

data_ZrSbSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   4.98
_cell_length_c   5.69
_cell_angle_alpha   98.07
_cell_angle_beta   90.0
_cell_angle_gamma   111.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSbSe2
_chemical_formula_sum   'Zr1 Sb1 Se2'
_cell_volume   94.84
_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
  Sb  Sb1  1  0.0  0.79  0.19  1.0
  Se  Se2  1  0.0  0.61  0.87  1.0
  Se  Se3  1  0.0  0.97  0.5  1.0

Zr Sb Se Se