data_ZnGeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   130.91
_cell_angle_beta   130.91
_cell_angle_gamma   71.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGeAs2
_chemical_formula_sum   'Zn1 Ge1 As2'
_cell_volume   75.74
_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
  Ge  Ge2  1  0.0  0.13  0.08  1.0
  As  As0  1  0.13  0.0  0.08  1.0
  As  As1  1  0.0  0.0  0.16  1.0

data_ZnGeAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   5.14
_cell_angle_alpha   114.55
_cell_angle_beta   114.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGeAs2
_chemical_formula_sum   'Zn1 Ge1 As2'
_cell_volume   75.74
_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
  Ge  Ge1  1  0.94  0.08  0.94  1.0
  As  As2  1  0.08  0.94  0.94  1.0
  As  As3  1  0.16  0.16  0.16  1.0

Zn Ge As As
Zn Ge As As 0 1 o o o 0 2 o o o 0 3 o o o 