data_Na2TaAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   6.34
_cell_angle_alpha   149.8
_cell_angle_beta   140.4
_cell_angle_gamma   50.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TaAs
_chemical_formula_sum   'Na2 Ta1 As1'
_cell_volume   81.17
_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  0.15  0.17  1.0
  Na  Na2  1  0.65  0.0  0.55  1.0
  Ta  Ta3  1  0.0  0.0  0.73  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Na2TaAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.29
_cell_length_c   6.34
_cell_angle_alpha   109.8
_cell_angle_beta   105.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TaAs
_chemical_formula_sum   'Na2 Ta1 As1'
_cell_volume   81.17
_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  0.55  0.9  1.0
  Na  Na1  1  0.85  0.03  0.03  1.0
  Ta  Ta2  1  0.0  0.73  0.73  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Na Na Ta As