data_ZnSiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSiAs2
_chemical_formula_sum   'Zn1 Si1 As2'
_cell_volume   72.92
_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  0.74  0.0  0.38  1.0
  Si  Si2  1  0.0  0.0  0.43  1.0
  As  As0  1  0.0  0.0  0.38  1.0
  As  As1  1  0.74  0.0  0.36  1.0

data_ZnSiAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSiAs2
_chemical_formula_sum   'Zn1 Si1 As2'
_cell_volume   72.92
_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  0.74  0.0  0.38  1.0
  Si  Si1  1  0.0  0.0  0.43  1.0
  As  As2  1  0.0  0.0  0.38  1.0
  As  As3  1  0.74  0.0  0.36  1.0

Zn Si As As
Zn Si As As 0 3 o o o 1 2 o o o 