data_Na2NiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49
_cell_length_b   4.33
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2NiP
_chemical_formula_sum   'Na2 Ni1 P1'
_cell_volume   69.06
_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  0.75  0.17  0.13  1.0
  Na  Na1  1  0.75  0.17  0.43  1.0
  Ni  Ni2  1  0.0  0.0  0.28  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Na2NiP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.33
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2NiP
_chemical_formula_sum   'Na2 Ni1 P1'
_cell_volume   69.06
_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  0.75  0.17  0.13  1.0
  Na  Na1  1  0.75  0.17  0.43  1.0
  Ni  Ni2  1  0.0  0.0  0.28  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Na Na Ni P
Na Na Ni P 0 3 + o o 0 2 + o o 0 1 o o o 1 2 + o o 2 3 o o o 