data_NaCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   101.86
_cell_angle_beta   101.86
_cell_angle_gamma   126.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCr2
_chemical_formula_sum   'Na2 Cr4'
_cell_volume   133.95
_cell_formula_units_Z   2
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  Na4  1  0.0  0.0  0.29  1.0
  Na  Na5  1  0.0  0.0  0.88  1.0
  Cr  Cr0  1  0.01  0.59  0.59  1.0
  Cr  Cr1  1  0.59  0.01  0.0  1.0
  Cr  Cr2  1  0.01  0.61  0.0  1.0
  Cr  Cr3  1  0.59  0.99  0.59  1.0

data_NaCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.18
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   78.14
_cell_angle_beta   63.04
_cell_angle_gamma   63.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCr2
_chemical_formula_sum   'Na2 Cr4'
_cell_volume   133.95
_cell_formula_units_Z   2
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  0.12  0.88  0.0  1.0
  Na  Na1  1  0.71  0.29  0.0  1.0
  Cr  Cr2  1  0.01  0.0  0.57  1.0
  Cr  Cr3  1  0.4  0.59  0.6  1.0
  Cr  Cr4  1  0.61  0.0  0.4  1.0
  Cr  Cr5  1  1.0  0.59  0.43  1.0

Na Na Cr Cr Cr Cr