data_MnNbRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   144.7
_cell_angle_beta   128.92
_cell_angle_gamma   63.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNbRe2
_chemical_formula_sum   'Mn1 Nb1 Re2'
_cell_volume   59.12
_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  0.37  1.0
  Nb  Nb1  1  0.0  0.2  0.14  1.0
  Re  Re2  1  0.0  0.0  0.67  1.0
  Re  Re3  1  0.55  0.0  0.17  1.0

data_MnNbRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.4
_cell_length_c   5.11
_cell_angle_alpha   115.54
_cell_angle_beta   107.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNbRe2
_chemical_formula_sum   'Mn1 Nb1 Re2'
_cell_volume   59.12
_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  0.37  0.37  1.0
  Nb  Nb1  1  0.8  0.94  0.94  1.0
  Re  Re2  1  0.0  0.17  0.62  1.0
  Re  Re3  1  0.0  0.67  0.67  1.0

Mn Nb Re Re