data_NaCrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   5.85
_cell_angle_alpha   51.15
_cell_angle_beta   51.15
_cell_angle_gamma   51.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCrO3
_chemical_formula_sum   'Na2 Cr2 O6'
_cell_volume   112.33
_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  0.0  0.0  0.09  1.0
  Na  Na3  1  0.0  0.0  0.14  1.0
  Cr  Cr0  1  0.0  0.0  0.17  1.0
  Cr  Cr1  1  0.0  0.0  0.05  1.0
  O  O4  1  0.51  0.64  0.17  1.0
  O  O5  1  0.56  0.48  0.17  1.0
  O  O6  1  0.94  0.88  0.17  1.0
  O  O7  1  0.06  0.12  0.06  1.0
  O  O8  1  0.44  0.52  0.06  1.0
  O  O9  1  0.49  0.36  0.06  1.0

data_NaCrO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.85
_cell_angle_alpha   64.42
_cell_angle_beta   64.42
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NaCrO3
_chemical_formula_sum   'Na2 Cr2 O6'
_cell_volume   112.33
_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  0.0  0.48  0.02  1.0
  Cr  Cr1  2  0.0  0.44  0.06  1.0
  O  O2  2  0.12  0.45  0.87  1.0
  O  O3  2  0.36  0.45  0.2  1.0
  O  O4  2  0.48  0.55  0.9  1.0

Na Na Cr Cr O O O O O O