data_Na3Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   80.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3Cr
_chemical_formula_sum   'Na6 Cr2'
_cell_volume   245.15
_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  Na2  1  0.94  0.85  0.47  1.0
  Na  Na3  1  0.94  0.15  0.42  1.0
  Na  Na4  1  0.83  0.53  0.47  1.0
  Na  Na5  1  0.05  0.47  0.42  1.0
  Na  Na6  1  0.05  0.53  0.47  1.0
  Na  Na7  1  0.83  0.47  0.42  1.0
  Cr  Cr0  1  0.94  0.08  0.42  1.0
  Cr  Cr1  1  0.94  0.92  0.47  1.0

data_Na3Cr
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.89
_cell_length_b   6.49
_cell_length_c   6.49
_cell_angle_alpha   99.05
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Na3Cr
_chemical_formula_sum   'Na6 Cr2'
_cell_volume   245.15
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.47  0.39  0.47  1.0
  Na  Na1  2  0.47  0.5  0.15  1.0
  Na  Na2  2  0.47  0.61  0.47  1.0
  Cr  Cr3  2  0.47  0.5  0.08  1.0

Na Na Na Na Na Na Cr Cr
Na Na Na Na Na Na Cr Cr 0 7 o o o 1 6 o o o 2 5 o o o 3 4 o o o 