data_Ba2ZnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZnAs
_chemical_formula_sum   'Ba2 Zn1 As1'
_cell_volume   135.71
_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
  Ba  Ba1  1  0.88  0.0  0.73  1.0
  Ba  Ba2  1  0.88  0.0  0.24  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.98  1.0

data_Ba2ZnAs
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ba2ZnAs
_chemical_formula_sum   'Ba2 Zn1 As1'
_cell_volume   135.77
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ba  Ba0  1  0.88  0.0  0.24  1.0
  Ba  Ba1  1  0.88  0.0  0.73  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.0  0.0  0.98  1.0

Ba Ba Zn As