data_NaCoNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   2.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCoNi2
_chemical_formula_sum   'Na1 Co1 Ni2'
_cell_volume   49.25
_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
  Co  Co0  1  0.63  0.0  0.0  1.0
  Ni  Ni2  1  0.31  0.89  0.24  1.0
  Ni  Ni3  1  0.31  0.11  0.24  1.0

data_NaCoNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.48
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   110.21
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCoNi2
_chemical_formula_sum   'Na1 Co1 Ni2'
_cell_volume   49.25
_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
  Co  Co1  1  0.0  0.63  0.0  1.0
  Ni  Ni2  1  0.24  0.31  0.11  1.0
  Ni  Ni3  1  0.24  0.31  0.89  1.0

Na Co Ni Ni