data_Mn2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64
_cell_length_b   6.82
_cell_length_c   3.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Re
_chemical_formula_sum   'Mn4 Re2'
_cell_volume   71.27
_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  0.42  0.31  0.0  1.0
  Mn  Mn1  1  0.9  0.72  0.98  1.0
  Mn  Mn2  1  0.74  0.1  0.98  1.0
  Mn  Mn3  1  0.22  0.51  0.0  1.0
  Re  Re4  1  0.0  0.0  0.0  1.0
  Re  Re5  1  0.32  0.41  0.98  1.0

data_Mn2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   3.95
_cell_length_c   6.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Re
_chemical_formula_sum   'Mn4 Re2'
_cell_volume   71.27
_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  0.1  0.02  0.28  1.0
  Mn  Mn1  1  0.26  0.02  0.9  1.0
  Mn  Mn2  1  0.58  0.0  0.69  1.0
  Mn  Mn3  1  0.78  0.0  0.49  1.0
  Re  Re4  1  0.0  0.0  0.0  1.0
  Re  Re5  1  0.68  0.02  0.59  1.0

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