data_Zn2SiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   6.42
_cell_angle_alpha   92.49
_cell_angle_beta   92.49
_cell_angle_gamma   36.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SiAs
_chemical_formula_sum   'Zn2 Si1 As1'
_cell_volume   72.33
_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  0.13  0.0  0.16  1.0
  Zn  Zn3  1  0.69  0.0  0.71  1.0
  Si  Si1  1  0.37  0.0  0.18  1.0
  As  As0  1  0.43  0.0  0.97  1.0

data_Zn2SiAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.34
_cell_length_c   6.42
_cell_angle_alpha   92.49
_cell_angle_beta   90.0
_cell_angle_gamma   108.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SiAs
_chemical_formula_sum   'Zn2 Si1 As1'
_cell_volume   72.33
_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  0.0  0.31  0.29  1.0
  Zn  Zn1  1  0.0  0.87  0.84  1.0
  Si  Si2  1  0.0  0.63  0.82  1.0
  As  As3  1  0.0  0.57  0.03  1.0

Zn Zn Si As