data_Zn2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.01
_cell_length_b   9.01
_cell_length_c   9.01
_cell_angle_alpha   157.36
_cell_angle_beta   157.36
_cell_angle_gamma   32.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2As
_chemical_formula_sum   'Zn4 As2'
_cell_volume   108.43
_cell_formula_units_Z   2
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  Zn2  1  0.77  0.0  0.59  1.0
  Zn  Zn3  1  0.0  0.0  0.4  1.0
  Zn  Zn4  1  0.77  0.0  0.07  1.0
  Zn  Zn5  1  0.0  0.0  0.92  1.0
  As  As0  1  0.0  0.77  0.33  1.0
  As  As1  1  0.0  0.0  0.0  1.0

data_Zn2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   9.01
_cell_angle_alpha   101.32
_cell_angle_beta   101.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2As
_chemical_formula_sum   'Zn4 As2'
_cell_volume   108.43
_cell_formula_units_Z   2
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  0.08  0.0  0.08  1.0
  Zn  Zn1  1  0.41  0.0  0.18  1.0
  Zn  Zn2  1  0.6  0.0  0.6  1.0
  Zn  Zn3  1  0.93  0.0  0.7  1.0
  As  As4  1  0.0  0.0  0.0  1.0
  As  As5  1  0.44  0.77  0.44  1.0

Zn Zn Zn Zn As As