data_Mn3Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   12.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Cr
_chemical_formula_sum   'Mn18 Cr6'
_cell_volume   263.63
_cell_formula_units_Z   6
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  Mn6  1  0.74  0.16  0.17  1.0
  Mn  Mn7  1  0.75  0.16  0.06  1.0
  Mn  Mn8  1  0.0  0.44  0.19  1.0
  Mn  Mn9  1  0.0  0.44  0.14  1.0
  Mn  Mn10  1  0.75  0.6  0.19  1.0
  Mn  Mn11  1  0.75  0.6  0.14  1.0
  Mn  Mn12  1  0.25  0.72  0.03  1.0
  Mn  Mn13  1  0.25  0.72  0.08  1.0
  Mn  Mn14  1  0.5  0.0  0.17  1.0
  Mn  Mn15  1  0.0  0.32  0.06  1.0
  Mn  Mn16  1  0.25  0.16  0.17  1.0
  Mn  Mn17  1  0.25  0.16  0.06  1.0
  Mn  Mn18  1  0.25  0.6  0.19  1.0
  Mn  Mn19  1  0.25  0.6  0.14  1.0
  Mn  Mn20  1  0.75  0.72  0.03  1.0
  Mn  Mn21  1  0.75  0.72  0.08  1.0
  Mn  Mn22  1  0.5  0.88  0.03  1.0
  Mn  Mn23  1  0.5  0.88  0.08  1.0
  Cr  Cr0  1  0.0  0.0  0.17  1.0
  Cr  Cr1  1  0.0  0.0  0.06  1.0
  Cr  Cr2  1  0.0  0.88  0.96  1.0
  Cr  Cr3  1  0.0  0.88  0.15  1.0
  Cr  Cr4  1  0.5  0.44  0.26  1.0
  Cr  Cr5  1  0.5  0.44  0.07  1.0

data_Mn3Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   12.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Cr
_chemical_formula_sum   'Mn18 Cr6'
_cell_volume   263.63
_cell_formula_units_Z   6
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  0.0  0.32  0.06  1.0
  Mn  Mn1  1  0.0  0.44  0.14  1.0
  Mn  Mn2  1  0.0  0.44  0.19  1.0
  Mn  Mn3  1  0.25  0.72  0.03  1.0
  Mn  Mn4  1  0.25  0.72  0.08  1.0
  Mn  Mn5  1  0.25  0.16  0.06  1.0
  Mn  Mn6  1  0.25  0.16  0.17  1.0
  Mn  Mn7  1  0.25  0.6  0.14  1.0
  Mn  Mn8  1  0.25  0.6  0.19  1.0
  Mn  Mn9  1  0.5  0.0  0.17  1.0
  Mn  Mn10  1  0.5  0.88  0.03  1.0
  Mn  Mn11  1  0.5  0.88  0.08  1.0
  Mn  Mn12  1  0.74  0.16  0.17  1.0
  Mn  Mn13  1  0.75  0.72  0.03  1.0
  Mn  Mn14  1  0.75  0.72  0.08  1.0
  Mn  Mn15  1  0.75  0.6  0.14  1.0
  Mn  Mn16  1  0.75  0.6  0.19  1.0
  Mn  Mn17  1  0.75  0.16  0.06  1.0
  Cr  Cr18  1  0.0  0.0  0.06  1.0
  Cr  Cr19  1  0.0  0.0  0.17  1.0
  Cr  Cr20  1  0.0  0.88  0.15  1.0
  Cr  Cr21  1  0.0  0.88  0.96  1.0
  Cr  Cr22  1  0.5  0.44  0.07  1.0
  Cr  Cr23  1  0.5  0.44  0.26  1.0

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