data_ZnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   145.7
_cell_angle_beta   141.06
_cell_angle_gamma   52.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnAs
_chemical_formula_sum   'Zn2 As2'
_cell_volume   74.35
_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  0.0  0.99  0.4  1.0
  Zn  Zn3  1  0.76  0.99  0.93  1.0
  As  As0  1  0.76  0.01  0.67  1.0
  As  As1  1  0.0  0.98  0.66  1.0

data_ZnAs
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.51
_cell_length_b   3.97
_cell_length_c   5.95
_cell_angle_alpha   109.47
_cell_angle_beta   107.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnAs
_chemical_formula_sum   'Zn2 As2'
_cell_volume   74.35
_cell_formula_units_Z   2
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  2  0.38  0.26  0.38  1.0
  As  As1  2  0.13  0.99  0.11  1.0

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