data_Zn2SnSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   131.92
_cell_angle_beta   131.92
_cell_angle_gamma   70.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SnSe
_chemical_formula_sum   'Zn2 Sn1 Se1'
_cell_volume   85.16
_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  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.2  0.0  0.2  1.0
  Sn  Sn1  1  0.0  0.2  0.2  1.0
  Se  Se0  1  0.0  0.0  0.41  1.0

data_Zn2SnSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   5.39
_cell_angle_alpha   114.04
_cell_angle_beta   114.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SnSe
_chemical_formula_sum   'Zn2 Sn1 Se1'
_cell_volume   85.16
_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  0.0  0.0  1.0
  Zn  Zn1  1  0.2  0.01  0.01  1.0
  Sn  Sn2  1  0.01  0.2  0.01  1.0
  Se  Se3  1  0.41  0.41  0.41  1.0

Zn Zn Sn Se