data_BaNaAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   4.79
_cell_angle_alpha   111.29
_cell_angle_beta   111.29
_cell_angle_gamma   41.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNaAs2
_chemical_formula_sum   'Ba1 Na1 As2'
_cell_volume   118.97
_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  Ba2  1  0.18  0.0  0.26  1.0
  Na  Na3  1  0.67  0.0  0.16  1.0
  As  As0  1  0.34  0.0  0.07  1.0
  As  As1  1  0.08  0.0  0.54  1.0

data_BaNaAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.51
_cell_length_b   4.79
_cell_length_c   6.39
_cell_angle_alpha   111.29
_cell_angle_beta   110.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNaAs2
_chemical_formula_sum   'Ba1 Na1 As2'
_cell_volume   118.97
_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  Ba0  1  0.0  0.26  0.18  1.0
  Na  Na1  1  0.0  0.16  0.67  1.0
  As  As2  1  0.0  0.07  0.34  1.0
  As  As3  1  0.0  0.54  0.08  1.0

Ba Na As As