data_MnFeRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   144.31
_cell_angle_beta   129.91
_cell_angle_gamma   63.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeRe2
_chemical_formula_sum   'Mn1 Fe1 Re2'
_cell_volume   53.39
_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  Mn1  1  0.0  0.0  0.17  1.0
  Fe  Fe0  1  0.51  0.0  0.16  1.0
  Re  Re2  1  0.51  0.0  0.03  1.0
  Re  Re3  1  0.0  0.0  0.28  1.0

data_MnFeRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.18
_cell_length_c   4.94
_cell_angle_alpha   115.05
_cell_angle_beta   107.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeRe2
_chemical_formula_sum   'Mn1 Fe1 Re2'
_cell_volume   53.39
_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  0.17  0.17  1.0
  Fe  Fe1  1  0.0  0.16  0.65  1.0
  Re  Re2  1  0.0  0.03  0.52  1.0
  Re  Re3  1  0.0  0.28  0.28  1.0

Mn Fe Re Re