data_Na2NiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   138.51
_cell_angle_beta   138.51
_cell_angle_gamma   60.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2NiP
_chemical_formula_sum   'Na2 Ni1 P1'
_cell_volume   64.66
_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  0.88  0.0  0.29  1.0
  Na  Na1  1  0.0  0.88  0.29  1.0
  Ni  Ni2  1  0.0  0.0  0.59  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Na2NiP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   120.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2NiP
_chemical_formula_sum   'Na4 Ni2 P2'
_cell_volume   129.32
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.14  0.44  0.58  1.0
  Ni  Ni1  2  0.41  0.0  0.41  1.0
  P  P2  2  0.0  0.0  0.0  1.0

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