data_ZnGa2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   2.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGa2As
_chemical_formula_sum   'Zn1 Ga2 As1'
_cell_volume   74.12
_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  Ga1  1  0.48  0.9  0.49  1.0
  Ga  Ga2  1  0.48  0.1  0.49  1.0
  As  As0  1  0.96  0.0  0.0  1.0

data_ZnGa2As
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.14
_cell_length_b   2.98
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   109.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZnGa2As
_chemical_formula_sum   'Zn1 Ga2 As1'
_cell_volume   74.12
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.48  0.5  0.1  1.0
  Ga  Ga2  1  0.48  0.5  0.9  1.0
  As  As3  1  0.96  0.0  0.0  1.0

Zn Ga Ga As