data_ZnB2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.14
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnB2As
_chemical_formula_sum   'Zn1 B2 As1'
_cell_volume   52.38
_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  0.56  0.0  0.68  1.0
  B  B1  1  0.0  0.57  0.68  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.56  0.57  0.0  1.0

data_ZnB2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.14
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnB2As
_chemical_formula_sum   'Zn1 B2 As1'
_cell_volume   52.38
_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  0.56  0.0  0.68  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.0  0.57  0.68  1.0
  As  As3  1  0.56  0.57  0.0  1.0

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