data_MnRe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   6.46
_cell_angle_alpha   104.45
_cell_angle_beta   104.45
_cell_angle_gamma   30.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRe5
_chemical_formula_sum   'Mn1 Re5'
_cell_volume   86.39
_cell_formula_units_Z   1
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  0.0  0.02  1.0
  Re  Re1  1  0.5  0.0  0.68  1.0
  Re  Re2  1  0.13  0.0  0.04  1.0
  Re  Re3  1  0.52  0.0  0.83  1.0
  Re  Re4  1  0.28  0.0  0.2  1.0
  Re  Re5  1  0.66  0.0  0.9  1.0

data_MnRe5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   5.22
_cell_length_c   6.46
_cell_angle_alpha   104.45
_cell_angle_beta   90.0
_cell_angle_gamma   105.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRe5
_chemical_formula_sum   'Mn1 Re5'
_cell_volume   86.39
_cell_formula_units_Z   1
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  1.0  0.98  1.0
  Re  Re1  1  0.0  0.34  0.1  1.0
  Re  Re2  1  0.0  0.48  0.17  1.0
  Re  Re3  1  0.0  0.5  0.32  1.0
  Re  Re4  1  0.0  0.72  0.8  1.0
  Re  Re5  1  0.0  0.87  0.96  1.0

Mn Re Re Re Re Re