data_ZnGaSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.96
_cell_angle_alpha   101.1
_cell_angle_beta   101.1
_cell_angle_gamma   34.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGaSi2
_chemical_formula_sum   'Zn1 Ga1 Si2'
_cell_volume   64.5
_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  0.05  0.0  0.43  1.0
  Ga  Ga0  1  0.56  0.0  0.6  1.0
  Si  Si1  1  0.05  0.0  0.11  1.0
  Si  Si2  1  0.63  0.0  0.15  1.0

data_ZnGaSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.82
_cell_length_c   4.96
_cell_angle_alpha   101.1
_cell_angle_beta   90.0
_cell_angle_gamma   107.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGaSi2
_chemical_formula_sum   'Zn1 Ga1 Si2'
_cell_volume   64.5
_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  0.95  0.57  1.0
  Ga  Ga1  1  0.0  0.44  0.4  1.0
  Si  Si2  1  0.0  0.37  0.85  1.0
  Si  Si3  1  0.0  0.95  0.89  1.0

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