data_SrReMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.77
_cell_angle_alpha   104.09
_cell_angle_beta   104.09
_cell_angle_gamma   36.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrReMo2
_chemical_formula_sum   'Sr1 Re1 Mo2'
_cell_volume   88.2
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.17  0.0  0.79  1.0
  Mo  Mo0  1  0.22  0.0  0.02  1.0
  Mo  Mo1  1  0.12  0.0  0.56  1.0

data_SrReMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.17
_cell_length_c   5.77
_cell_angle_alpha   104.09
_cell_angle_beta   90.0
_cell_angle_gamma   108.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrReMo2
_chemical_formula_sum   'Sr1 Re1 Mo2'
_cell_volume   88.2
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.83  0.21  1.0
  Mo  Mo2  1  0.0  0.78  0.98  1.0
  Mo  Mo3  1  0.0  0.88  0.44  1.0

Sr Re Mo Mo