data_Na2MnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.42
_cell_length_b   4.87
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MnCr
_chemical_formula_sum   'Na2 Mn1 Cr1'
_cell_volume   62.32
_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  Na2  1  0.21  0.23  0.65  1.0
  Na  Na3  1  0.21  0.64  0.65  1.0
  Mn  Mn1  1  0.0  0.43  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_Na2MnCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.42
_cell_length_b   4.87
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MnCr
_chemical_formula_sum   'Na2 Mn1 Cr1'
_cell_volume   62.32
_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  0.21  0.23  0.65  1.0
  Na  Na1  1  0.21  0.64  0.65  1.0
  Mn  Mn2  1  -0.0  0.43  0.0  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

Na Na Mn Cr
Na Na Mn Cr 0 3 o o + 0 2 o o + 0 0 + o o 0 1 o o o 1 2 o o + 1 1 + o o 1 3 o + + 2 2 + o o 2 3 o o o 3 3 + o o 