data_Zn3Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   6.02
_cell_angle_alpha   106.05
_cell_angle_beta   106.05
_cell_angle_gamma   53.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3Se
_chemical_formula_sum   'Zn3 Se1'
_cell_volume   74.65
_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  Zn1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.37  0.0  0.38  1.0
  Zn  Zn3  1  0.97  0.0  0.34  1.0
  Se  Se0  1  0.67  0.0  0.86  1.0

data_Zn3Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   4.03
_cell_length_c   6.02
_cell_angle_alpha   106.05
_cell_angle_beta   90.0
_cell_angle_gamma   116.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn3Se
_chemical_formula_sum   'Zn3 Se1'
_cell_volume   74.65
_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  0.0  0.03  0.66  1.0
  Zn  Zn2  1  0.0  0.63  0.62  1.0
  Se  Se3  1  0.0  0.33  0.14  1.0

Zn Zn Zn Se