data_Mn3Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   4.93
_cell_length_c   4.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Cr
_chemical_formula_sum   'Mn6 Cr2'
_cell_volume   88.64
_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  Mn2  1  0.01  0.0  1.0  1.0
  Mn  Mn3  1  0.0  0.28  0.79  1.0
  Mn  Mn4  1  0.01  0.18  0.68  1.0
  Mn  Mn5  1  0.0  0.47  0.47  1.0
  Mn  Mn6  1  0.0  0.65  0.79  1.0
  Mn  Mn7  1  0.01  0.75  0.68  1.0
  Cr  Cr0  1  0.0  0.0  0.65  1.0
  Cr  Cr1  1  0.01  0.47  0.81  1.0

data_Mn3Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.46
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Cr
_chemical_formula_sum   'Mn6 Cr2'
_cell_volume   88.64
_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  0.0  0.21  0.35  1.0
  Mn  Mn1  1  0.0  0.21  0.72  1.0
  Mn  Mn2  1  0.0  0.53  0.53  1.0
  Mn  Mn3  1  0.99  0.0  0.0  1.0
  Mn  Mn4  1  0.99  0.32  0.25  1.0
  Mn  Mn5  1  0.99  0.32  0.82  1.0
  Cr  Cr6  1  0.0  0.35  0.0  1.0
  Cr  Cr7  1  0.99  0.19  0.53  1.0

Mn Mn Mn Mn Mn Mn Cr Cr