data_Na2MnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   121.33
_cell_angle_beta   121.33
_cell_angle_gamma   87.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MnCr
_chemical_formula_sum   'Na2 Mn1 Cr1'
_cell_volume   85.41
_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  0.0  0.0  0.0  1.0
  Na  Na3  1  0.44  0.0  0.79  1.0
  Mn  Mn1  1  0.0  0.44  0.79  1.0
  Cr  Cr0  1  0.0  0.0  0.59  1.0

data_Na2MnCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.98
_cell_angle_alpha   119.34
_cell_angle_beta   119.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MnCr
_chemical_formula_sum   'Na2 Mn1 Cr1'
_cell_volume   85.41
_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  0.0  0.0  0.0  1.0
  Na  Na1  1  0.21  0.0  0.64  1.0
  Mn  Mn2  1  0.64  0.44  0.64  1.0
  Cr  Cr3  1  0.41  0.0  0.41  1.0

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