data_NaCr2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   2.38
_cell_angle_alpha   97.77
_cell_angle_beta   97.77
_cell_angle_gamma   125.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCr2Cu
_chemical_formula_sum   'Na1 Cr2 Cu1'
_cell_volume   54.56
_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  0.0  1.0
  Cr  Cr0  1  0.9  0.4  0.14  1.0
  Cr  Cr1  1  0.9  0.6  0.14  1.0
  Cu  Cu2  1  0.5  0.0  0.0  1.0

data_NaCr2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.38
_cell_length_b   4.86
_cell_length_c   5.41
_cell_angle_alpha   114.07
_cell_angle_beta   97.77
_cell_angle_gamma   100.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCr2Cu
_chemical_formula_sum   'Na1 Cr2 Cu1'
_cell_volume   54.56
_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
  Cr  Cr1  1  0.54  0.4  0.3  1.0
  Cr  Cr2  1  0.74  0.6  0.5  1.0
  Cu  Cu3  1  0.0  0.0  0.5  1.0

Na Cr Cr Cu