data_ZnGe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   5.61
_cell_angle_alpha   93.97
_cell_angle_beta   93.97
_cell_angle_gamma   33.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGe2As
_chemical_formula_sum   'Zn1 Ge2 As1'
_cell_volume   75.89
_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  Ge1  1  0.89  0.0  0.33  1.0
  Ge  Ge2  1  0.14  0.0  0.27  1.0
  As  As0  1  0.52  0.0  0.8  1.0

data_ZnGe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.93
_cell_length_c   5.61
_cell_angle_alpha   93.97
_cell_angle_beta   90.0
_cell_angle_gamma   106.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGe2As
_chemical_formula_sum   'Zn1 Ge2 As1'
_cell_volume   75.89
_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  0.0  0.11  0.67  1.0
  Ge  Ge2  1  0.0  0.86  0.73  1.0
  As  As3  1  0.0  0.48  0.2  1.0

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