data_NaCo2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   152.77
_cell_angle_beta   128.25
_cell_angle_gamma   59.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCo2Cu
_chemical_formula_sum   'Na1 Co2 Cu1'
_cell_volume   56.83
_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  Na3  1  0.0  0.0  0.06  1.0
  Co  Co0  1  0.28  0.0  0.32  1.0
  Co  Co1  1  0.0  0.0  0.29  1.0
  Cu  Cu2  1  0.28  0.0  0.46  1.0

data_NaCo2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   4.73
_cell_length_c   5.42
_cell_angle_alpha   115.87
_cell_angle_beta   103.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCo2Cu
_chemical_formula_sum   'Na1 Co2 Cu1'
_cell_volume   56.83
_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  0.06  0.06  1.0
  Co  Co1  1  0.0  0.29  0.29  1.0
  Co  Co2  1  0.0  0.32  0.04  1.0
  Cu  Cu3  1  0.0  0.46  0.18  1.0

Na Co Co Cu