data_ZnGa2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   128.23
_cell_angle_beta   128.23
_cell_angle_gamma   76.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGa2As
_chemical_formula_sum   'Zn1 Ga2 As1'
_cell_volume   74.54
_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  0.0  0.0  0.93  1.0
  Ga  Ga2  1  0.0  0.18  0.96  1.0
  As  As0  1  0.18  0.0  0.96  1.0

data_ZnGa2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   4.99
_cell_angle_alpha   115.89
_cell_angle_beta   115.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGa2As
_chemical_formula_sum   'Zn1 Ga2 As1'
_cell_volume   74.54
_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  0.78  0.96  0.78  1.0
  Ga  Ga2  1  0.93  0.93  0.93  1.0
  As  As3  1  0.96  0.78  0.78  1.0

Zn Ga Ga As
Zn Ga Ga As 0 1 o o - 1 2 o o o 1 3 o o o 