data_ZnSb2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   143.77
_cell_angle_beta   125.49
_cell_angle_gamma   67.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSb2As
_chemical_formula_sum   'Zn1 Sb2 As1'
_cell_volume   92.51
_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  0.07  1.0
  Sb  Sb1  1  0.0  0.0  0.29  1.0
  Sb  Sb2  1  0.8  0.0  0.75  1.0
  As  As0  1  0.0  0.66  0.21  1.0

data_ZnSb2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   5.31
_cell_length_c   5.8
_cell_angle_alpha   117.26
_cell_angle_beta   108.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSb2As
_chemical_formula_sum   'Zn1 Sb2 As1'
_cell_volume   92.51
_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  0.93  0.93  0.93  1.0
  Sb  Sb1  1  0.06  0.25  0.06  1.0
  Sb  Sb2  1  0.71  0.71  0.71  1.0
  As  As3  1  0.79  0.45  0.45  1.0

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