data_ZnSnAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   3.7
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSnAs2
_chemical_formula_sum   'Zn1 Sn1 As2'
_cell_volume   88.03
_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  0.85  1.0
  Sn  Sn2  1  0.85  0.85  0.57  1.0
  As  As0  1  0.85  0.85  0.24  1.0
  As  As1  1  0.0  0.0  0.99  1.0

data_ZnSnAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   6.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnSnAs2
_chemical_formula_sum   'Zn2 Sn2 As4'
_cell_volume   176.06
_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  0.0  0.0  0.85  1.0
  Sn  Sn1  2  0.35  0.5  0.57  1.0
  As  As2  2  0.0  0.0  0.99  1.0
  As  As3  2  0.35  0.5  0.24  1.0

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