data_Mn2Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.29
_cell_length_b   7.29
_cell_length_c   7.29
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Cr
_chemical_formula_sum   'Mn16 Cr8'
_cell_volume   274.11
_cell_formula_units_Z   8
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  Mn8  1  0.29  0.87  0.87  1.0
  Mn  Mn9  1  0.87  0.29  0.87  1.0
  Mn  Mn10  1  0.87  0.87  0.29  1.0
  Mn  Mn11  1  0.29  0.29  0.29  1.0
  Mn  Mn12  1  0.16  0.16  0.05  1.0
  Mn  Mn13  1  0.16  0.05  0.16  1.0
  Mn  Mn14  1  0.05  0.16  0.16  1.0
  Mn  Mn15  1  0.26  0.16  0.16  1.0
  Mn  Mn16  1  0.16  0.26  0.16  1.0
  Mn  Mn17  1  0.16  0.16  0.26  1.0
  Mn  Mn18  1  0.73  0.73  0.84  1.0
  Mn  Mn19  1  0.73  0.84  0.73  1.0
  Mn  Mn20  1  0.84  0.73  0.73  1.0
  Mn  Mn21  1  0.63  0.73  0.73  1.0
  Mn  Mn22  1  0.73  0.63  0.73  1.0
  Mn  Mn23  1  0.73  0.73  0.63  1.0
  Cr  Cr0  1  0.38  0.38  0.38  1.0
  Cr  Cr1  1  0.09  0.09  0.38  1.0
  Cr  Cr2  1  0.09  0.38  0.09  1.0
  Cr  Cr3  1  0.38  0.09  0.09  1.0
  Cr  Cr4  1  0.51  0.51  0.51  1.0
  Cr  Cr5  1  0.8  0.8  0.51  1.0
  Cr  Cr6  1  0.8  0.51  0.8  1.0
  Cr  Cr7  1  0.51  0.8  0.8  1.0

data_Mn2Cr
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.29
_cell_length_b   7.29
_cell_length_c   17.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Mn2Cr
_chemical_formula_sum   'Mn48 Cr24'
_cell_volume   822.33
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.04  0.07  0.81  1.0
  Mn  Mn1  9  0.04  0.07  0.23  1.0
  Mn  Mn2  9  0.05  0.53  0.66  1.0
  Mn  Mn3  9  0.07  0.04  0.3  1.0
  Mn  Mn4  9  0.07  0.04  0.88  1.0
  Mn  Mn5  3  0.0  0.0  0.71  1.0
  Cr  Cr6  9  0.1  0.19  0.81  1.0
  Cr  Cr7  9  0.19  0.1  0.3  1.0
  Cr  Cr8  3  0.0  0.0  0.49  1.0
  Cr  Cr9  3  0.0  0.0  0.62  1.0

Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Mn Cr Cr Cr Cr Cr Cr Cr Cr