data_MnRe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   4.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRe3
_chemical_formula_sum   'Mn2 Re6'
_cell_volume   114.41
_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  0.71  0.39  0.34  1.0
  Mn  Mn1  1  0.71  0.61  0.11  1.0
  Re  Re2  1  0.71  0.06  0.11  1.0
  Re  Re3  1  0.71  0.94  0.34  1.0
  Re  Re4  1  0.39  0.46  0.11  1.0
  Re  Re5  1  0.03  0.54  0.34  1.0
  Re  Re6  1  0.03  0.46  0.11  1.0
  Re  Re7  1  0.39  0.54  0.34  1.0

data_MnRe3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.45
_cell_length_b   5.42
_cell_length_c   5.46
_cell_angle_alpha   119.77
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MnRe3
_chemical_formula_sum   'Mn2 Re6'
_cell_volume   114.41
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.11  0.61  0.11  1.0
  Re  Re1  2  0.11  0.06  0.56  1.0
  Re  Re2  2  0.11  0.46  0.28  1.0
  Re  Re3  2  0.11  0.46  0.64  1.0

Mn Mn Re Re Re Re Re Re
Mn Mn Re Re Re Re Re Re 0 1 o o o 0 5 + o o 1 4 o o o 2 3 o - o 4 7 o o o 5 6 o o o 