data_Na2TaP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   7.26
_cell_angle_alpha   102.05
_cell_angle_beta   102.05
_cell_angle_gamma   45.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TaP
_chemical_formula_sum   'Na2 Ta1 P1'
_cell_volume   97.28
_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  0.97  0.0  0.23  1.0
  Na  Na1  1  0.51  0.0  0.98  1.0
  Ta  Ta3  1  0.79  0.0  0.44  1.0
  P  P2  1  0.41  0.0  0.95  1.0

data_Na2TaP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.39
_cell_length_c   7.26
_cell_angle_alpha   102.05
_cell_angle_beta   90.0
_cell_angle_gamma   112.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TaP
_chemical_formula_sum   'Na2 Ta1 P1'
_cell_volume   97.28
_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  0.03  0.77  1.0
  Na  Na1  1  0.0  0.49  0.02  1.0
  Ta  Ta2  1  0.0  0.21  0.56  1.0
  P  P3  1  0.0  0.59  0.05  1.0

Na Na Ta P