data_Na2ZnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   128.31
_cell_angle_beta   128.31
_cell_angle_gamma   76.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZnAs
_chemical_formula_sum   'Na2 Zn1 As1'
_cell_volume   83.63
_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
  Na  Na1  1  0.0  0.0  0.0  1.0
  Na  Na2  1  0.26  0.0  0.04  1.0
  Zn  Zn3  1  0.0  0.0  0.09  1.0
  As  As0  1  0.0  0.26  0.04  1.0

data_Na2ZnAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   5.19
_cell_angle_alpha   115.84
_cell_angle_beta   115.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZnAs
_chemical_formula_sum   'Na2 Zn1 As1'
_cell_volume   83.63
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Na  Na1  1  0.96  0.0  0.22  1.0
  Zn  Zn2  1  0.91  0.0  0.91  1.0
  As  As3  1  0.22  0.26  0.22  1.0

Na Na Zn As