data_ReSiMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   135.67
_cell_angle_beta   135.67
_cell_angle_gamma   64.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSiMo2
_chemical_formula_sum   'Re1 Si1 Mo2'
_cell_volume   59.04
_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
  Re  Re2  1  0.0  0.0  0.2  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.87  0.0  0.1  1.0
  Mo  Mo1  1  0.0  0.87  0.1  1.0

data_ReSiMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   122.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReSiMo2
_chemical_formula_sum   'Re2 Si2 Mo4'
_cell_volume   118.07
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Si  Si0  2  0.0  0.0  0.0  1.0
  Re  Re1  2  0.3  0.5  0.8  1.0
  Mo  Mo2  4  0.34  0.44  0.77  1.0

Re Si Mo Mo