data_NaCr2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCr2Co
_chemical_formula_sum   'Na1 Cr2 Co1'
_cell_volume   62.42
_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  0.94  1.0
  Cr  Cr1  1  0.0  0.0  0.43  1.0
  Cr  Cr2  1  0.44  0.44  0.32  1.0
  Co  Co0  1  0.44  0.44  0.17  1.0

data_NaCr2Co
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   7.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaCr2Co
_chemical_formula_sum   'Na2 Cr4 Co2'
_cell_volume   124.83
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.94  1.0
  Cr  Cr1  2  0.0  0.0  0.43  1.0
  Cr  Cr2  2  0.44  0.0  0.32  1.0
  Co  Co3  2  0.44  0.0  0.17  1.0

Na Cr Cr Co
Na Cr Cr Co 0 3 - - + 0 3 - o + 0 3 o - + 0 3 o o + 0 0 + o o 0 0 o + o 1 2 - - o 1 2 - o o 1 2 o - o 1 2 o o o 2 3 o o o 