data_Mn3Cr3P2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   9.0
_cell_angle_alpha   131.71
_cell_angle_beta   131.71
_cell_angle_gamma   38.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Cr3P2
_chemical_formula_sum   'Mn6 Cr6 P4'
_cell_volume   179.87
_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
  Mn  Mn0  1  0.51  0.84  0.05  1.0
  Mn  Mn1  1  0.88  0.84  0.34  1.0
  Mn  Mn2  1  0.97  0.95  0.49  1.0
  Mn  Mn3  1  0.42  0.95  0.89  1.0
  Mn  Mn4  1  0.43  0.04  0.07  1.0
  Mn  Mn5  1  0.96  0.04  0.31  1.0
  Cr  Cr6  1  0.53  0.82  0.15  1.0
  Cr  Cr7  1  0.86  0.82  0.23  1.0
  Cr  Cr8  1  0.19  0.22  0.21  1.0
  Cr  Cr9  1  0.2  0.22  0.18  1.0
  Cr  Cr10  1  0.7  0.16  0.51  1.0
  Cr  Cr11  1  0.69  0.16  0.87  1.0
  P  P12  1  0.75  0.98  0.14  1.0
  P  P13  1  0.64  0.98  0.25  1.0
  P  P14  1  0.55  0.01  0.57  1.0
  P  P15  1  0.84  0.01  0.81  1.0

data_Mn3Cr3P2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.43
_cell_length_b   6.74
_cell_length_c   6.76
_cell_angle_alpha   83.61
_cell_angle_beta   70.88
_cell_angle_gamma   70.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Cr3P2
_chemical_formula_sum   'Mn6 Cr6 P4'
_cell_volume   179.87
_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
  Mn  Mn0  1  0.05  0.42  0.49  1.0
  Mn  Mn1  1  0.05  0.47  0.89  1.0
  Mn  Mn2  1  0.16  0.3  0.05  1.0
  Mn  Mn3  1  0.16  0.38  0.34  1.0
  Mn  Mn4  1  0.96  0.4  0.07  1.0
  Mn  Mn5  1  0.96  0.7  0.31  1.0
  Cr  Cr6  1  0.18  0.2  0.15  1.0
  Cr  Cr7  1  0.18  0.44  0.23  1.0
  Cr  Cr8  1  0.78  0.2  0.21  1.0
  Cr  Cr9  1  0.78  0.24  0.18  1.0
  Cr  Cr10  1  0.84  0.34  0.51  1.0
  Cr  Cr11  1  0.84  0.97  0.87  1.0
  P  P12  1  0.02  0.37  0.25  1.0
  P  P13  1  0.02  0.59  0.14  1.0
  P  P14  1  0.99  0.04  0.81  1.0
  P  P15  1  0.99  0.98  0.57  1.0

Mn Mn Mn Mn Mn Mn Cr Cr Cr Cr Cr Cr P P P P
Mn Mn Mn Mn Mn Mn Cr Cr Cr Cr Cr Cr P P P P 0 6 o o o 0 4 o + o 1 7 o o o 1 2 o o o 1 13 o o o 2 10 o + o 3 4 o + + 4 12 o - o 5 12 o - o 7 12 o o o 7 13 o o o 8 9 o o o 11 15 o o o 11 14 o o o 12 13 o o o 14 15 o o o 