data_Zn2BiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   6.0
_cell_angle_alpha   106.76
_cell_angle_beta   106.76
_cell_angle_gamma   50.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2BiAs
_chemical_formula_sum   'Zn2 Bi1 As1'
_cell_volume   88.58
_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  0.91  0.0  0.35  1.0
  Zn  Zn3  1  0.76  0.0  0.38  1.0
  Bi  Bi1  1  0.31  0.0  0.52  1.0
  As  As0  1  0.4  0.0  0.29  1.0

data_Zn2BiAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   4.51
_cell_length_c   6.0
_cell_angle_alpha   106.76
_cell_angle_beta   90.0
_cell_angle_gamma   115.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2BiAs
_chemical_formula_sum   'Zn2 Bi1 As1'
_cell_volume   88.58
_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  0.09  0.65  1.0
  Zn  Zn1  1  0.0  0.24  0.62  1.0
  Bi  Bi2  1  0.0  0.69  0.48  1.0
  As  As3  1  0.0  0.6  0.71  1.0

Zn Zn Bi As