data_ZnGa2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   141.59
_cell_angle_beta   141.59
_cell_angle_gamma   55.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGa2Se
_chemical_formula_sum   'Zn1 Ga2 Se1'
_cell_volume   80.44
_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  Zn3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.95  0.0  0.63  1.0
  Ga  Ga1  1  0.0  0.0  0.26  1.0
  Se  Se2  1  0.0  0.95  0.63  1.0

data_ZnGa2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   5.94
_cell_angle_alpha   109.2
_cell_angle_beta   109.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGa2Se
_chemical_formula_sum   'Zn1 Ga2 Se1'
_cell_volume   80.44
_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
  Ga  Ga1  1  0.37  0.0  0.32  1.0
  Ga  Ga2  1  0.74  0.0  0.74  1.0
  Se  Se3  1  0.32  0.95  0.32  1.0

Zn Ga Ga Se
Zn Ga Ga Se 0 2 o o o 1 3 + - o 