data_Na2BiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   5.24
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   96.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BiP
_chemical_formula_sum   'Na2 Bi1 P1'
_cell_volume   102.73
_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  0.82  0.0  0.28  1.0
  Na  Na2  1  0.76  0.62  0.55  1.0
  Bi  Bi0  1  0.93  0.62  0.06  1.0
  P  P3  1  0.95  0.0  0.77  1.0

data_Na2BiP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   5.24
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   96.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BiP
_chemical_formula_sum   'Na2 Bi1 P1'
_cell_volume   102.73
_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  0.76  0.62  0.55  1.0
  Na  Na1  1  0.82  0.0  0.28  1.0
  Bi  Bi2  1  0.93  0.62  0.06  1.0
  P  P3  1  0.95  0.0  0.77  1.0

Na Na Bi P
Na Na Bi P 0 1 o - o 0 2 o - o 0 3 o o - 0 3 o o o 1 2 o o o 1 2 o o + 1 3 o + o 2 3 o + - 