data_ZnBiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65
_cell_length_b   6.45
_cell_length_c   3.41
_cell_angle_alpha   78.27
_cell_angle_beta   71.65
_cell_angle_gamma   30.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnBiAs
_chemical_formula_sum   'Zn1 Bi1 As1'
_cell_volume   68.79
_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  Zn2  1  0.11  0.67  0.86  1.0
  Bi  Bi1  1  0.11  0.67  0.93  1.0
  As  As0  1  0.11  0.67  0.4  1.0

data_ZnBiAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.23
_cell_length_b   12.19
_cell_length_c   3.41
_cell_angle_alpha   90.0
_cell_angle_beta   128.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnBiAs
_chemical_formula_sum   'Zn2 Bi2 As2'
_cell_volume   137.57
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.11  0.0  0.98  1.0
  Bi  Bi1  2  0.11  0.0  0.04  1.0
  As  As2  2  0.11  0.0  0.51  1.0

Zn Bi As
Zn Bi As 0 1 o o o 0 2 o o + 0 2 o o o 1 2 o o + 1 2 o o o 