data_Zn2GaAgSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06
_cell_length_b   7.06
_cell_length_c   7.06
_cell_angle_alpha   130.77
_cell_angle_beta   130.77
_cell_angle_gamma   72.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2GaAgSe4
_chemical_formula_sum   'Zn2 Ga1 Ag1 Se4'
_cell_volume   197.7
_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  0.94  0.0  0.85  1.0
  Zn  Zn1  1  0.0  0.94  0.85  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.0  0.71  1.0
  Se  Se4  1  0.45  0.55  0.18  1.0
  Se  Se5  1  0.55  0.45  0.18  1.0
  Se  Se6  1  0.55  0.55  0.24  1.0
  Se  Se7  1  0.39  0.39  0.53  1.0

data_Zn2GaAgSe4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.32
_cell_length_b   8.32
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   126.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2GaAgSe4
_chemical_formula_sum   'Zn4 Ga2 Ag2 Se8'
_cell_volume   395.41
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.03  0.03  0.91  1.0
  Ga  Ga1  2  0.0  0.0  0.0  1.0
  Ag  Ag2  2  0.0  0.0  0.71  1.0
  Se  Se3  4  0.0  0.45  0.18  1.0
  Se  Se4  2  0.11  0.5  0.75  1.0
  Se  Se5  2  0.45  0.0  0.13  1.0

Zn Zn Ga Ag Se Se Se Se