data_NaTa2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   6.32
_cell_angle_alpha   154.37
_cell_angle_beta   133.27
_cell_angle_gamma   54.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa2As
_chemical_formula_sum   'Na1 Ta2 As1'
_cell_volume   79.04
_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
  Ta  Ta2  1  0.0  0.51  0.31  1.0
  Ta  Ta3  1  0.4  0.0  0.32  1.0
  As  As0  1  0.0  0.0  0.63  1.0

data_NaTa2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   5.01
_cell_length_c   6.32
_cell_angle_alpha   113.37
_cell_angle_beta   102.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTa2As
_chemical_formula_sum   'Na1 Ta2 As1'
_cell_volume   79.04
_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
  Ta  Ta1  1  0.0  0.32  0.92  1.0
  Ta  Ta2  1  0.49  0.8  0.8  1.0
  As  As3  1  0.0  0.63  0.63  1.0

Na Ta Ta As