data_ScReMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   5.26
_cell_angle_alpha   91.12
_cell_angle_beta   91.12
_cell_angle_gamma   32.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScReMo2
_chemical_formula_sum   'Sc1 Re1 Mo2'
_cell_volume   66.77
_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
  Sc  Sc3  1  0.28  0.0  0.32  1.0
  Re  Re2  1  0.62  0.0  0.63  1.0
  Mo  Mo0  1  0.16  0.0  0.25  1.0
  Mo  Mo1  1  0.91  0.0  0.95  1.0

data_ScReMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.84
_cell_length_c   5.26
_cell_angle_alpha   91.12
_cell_angle_beta   90.0
_cell_angle_gamma   106.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScReMo2
_chemical_formula_sum   'Sc1 Re1 Mo2'
_cell_volume   66.77
_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
  Sc  Sc0  1  0.0  0.72  0.68  1.0
  Re  Re1  1  0.0  0.38  0.37  1.0
  Mo  Mo2  1  0.0  0.09  0.05  1.0
  Mo  Mo3  1  0.0  0.84  0.75  1.0

Sc Re Mo Mo