data_Nd2MnCrO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.78
_cell_length_c   9.41
_cell_angle_alpha   90.0
_cell_angle_beta   125.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2MnCrO6
_chemical_formula_sum   'Nd4 Mn2 Cr2 O12'
_cell_volume   244.49
_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
  Nd  Nd0  1  0.93  0.24  0.91  1.0
  Nd  Nd1  1  0.86  0.35  0.91  1.0
  Nd  Nd2  1  0.12  0.54  0.74  1.0
  Nd  Nd3  1  0.19  0.43  0.73  1.0
  Mn  Mn4  1  0.77  0.89  0.0  1.0
  Mn  Mn5  1  0.03  0.0  0.82  1.0
  Cr  Cr6  1  0.26  0.89  0.82  1.0
  Cr  Cr7  1  0.0  0.0  0.0  1.0
  O  O8  1  0.92  0.65  0.38  1.0
  O  O9  1  0.88  0.76  0.44  1.0
  O  O10  1  0.7  0.18  0.18  1.0
  O  O11  1  0.62  0.07  0.29  1.0
  O  O12  1  0.13  0.13  0.26  1.0
  O  O13  1  0.18  0.01  0.2  1.0
  O  O14  1  0.36  0.59  0.46  1.0
  O  O15  1  0.44  0.7  0.36  1.0
  O  O16  1  0.53  0.61  0.96  1.0
  O  O17  1  0.26  0.73  0.87  1.0
  O  O18  1  0.52  0.16  0.69  1.0
  O  O19  1  0.79  0.05  0.78  1.0

data_Nd2MnCrO6
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.54
_cell_length_b   5.78
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2MnCrO6
_chemical_formula_sum   'Nd4 Mn2 Cr2 O12'
_cell_volume   244.49
_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
  Nd  Nd0  1  0.02  0.76  0.09  1.0
  Nd  Nd1  1  0.39  0.46  0.26  1.0
  Nd  Nd2  1  0.46  0.57  0.27  1.0
  Nd  Nd3  1  0.95  0.65  0.09  1.0
  Mn  Mn4  1  0.2  0.0  0.18  1.0
  Mn  Mn5  1  0.77  0.11  -0.0  1.0
  Cr  Cr6  1  0.0  0.0  0.0  1.0
  Cr  Cr7  1  0.44  0.11  0.18  1.0
  O  O8  1  0.01  0.95  0.22  1.0
  O  O9  1  0.08  0.3  0.64  1.0
  O  O10  1  0.33  0.93  0.71  1.0
  O  O11  1  0.4  0.27  0.13  1.0
  O  O12  1  0.43  0.24  0.56  1.0
  O  O13  1  0.52  0.82  0.82  1.0
  O  O14  1  0.54  0.35  0.62  1.0
  O  O15  1  0.58  0.39  0.04  1.0
  O  O16  1  0.83  0.84  0.31  1.0
  O  O17  1  0.87  0.87  0.74  1.0
  O  O18  1  0.89  0.41  0.54  1.0
  O  O19  1  0.98  0.99  0.8  1.0

Nd Nd Nd Nd Mn Mn Cr Cr O O O O O O O O O O O O
Nd Nd Nd Nd Mn Mn Cr Cr O O O O O O O O O O O O 0 1 o o o 0 7 + o + 2 3 o o o 4 7 + + o 5 19 - o o 5 7 o o + 6 17 o o o 7 19 - o - 7 13 o o o 8 9 o o o 10 11 o o o 12 13 o o o 14 15 o o o 16 17 o o o 18 19 o o o 