data_Na2CuNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   146.02
_cell_angle_beta   133.63
_cell_angle_gamma   58.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CuNi
_chemical_formula_sum   'Na2 Cu1 Ni1'
_cell_volume   65.88
_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  0.6  0.0  0.38  1.0
  Na  Na2  1  0.0  0.16  0.39  1.0
  Cu  Cu0  1  0.0  0.0  0.77  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_Na2CuNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.31
_cell_length_c   5.48
_cell_angle_alpha   113.18
_cell_angle_beta   106.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CuNi
_chemical_formula_sum   'Na2 Cu1 Ni1'
_cell_volume   65.88
_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  0.22  0.62  0.22  1.0
  Na  Na1  1  0.61  0.76  0.76  1.0
  Cu  Cu2  1  0.23  0.23  0.23  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Na Na Cu Ni