data_Zn2SbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   138.5
_cell_angle_beta   113.18
_cell_angle_gamma   81.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SbSe
_chemical_formula_sum   'Zn2 Sb1 Se1'
_cell_volume   86.82
_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
  Zn  Zn2  1  0.87  0.0  0.85  1.0
  Zn  Zn3  1  0.0  0.91  0.15  1.0
  Sb  Sb0  1  0.0  0.0  0.99  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_Zn2SbSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   66.82
_cell_angle_beta   69.25
_cell_angle_gamma   69.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SbSe
_chemical_formula_sum   'Zn2 Sb1 Se1'
_cell_volume   86.82
_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
  Zn  Zn0  1  0.0  0.13  0.85  1.0
  Zn  Zn1  1  0.91  -0.0  0.24  1.0
  Sb  Sb2  1  0.0  0.0  0.99  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Zn Zn Sb Se