data_CrReMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.6
_cell_length_c   2.67
_cell_angle_alpha   82.34
_cell_angle_beta   74.67
_cell_angle_gamma   23.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrReMo
_chemical_formula_sum   'Cr1 Re1 Mo1'
_cell_volume   43.09
_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
  Cr  Cr0  1  0.53  0.19  0.82  1.0
  Re  Re2  1  0.53  0.19  0.36  1.0
  Mo  Mo1  1  0.53  0.19  0.49  1.0

data_CrReMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.07
_cell_length_b   12.84
_cell_length_c   2.67
_cell_angle_alpha   90.0
_cell_angle_beta   125.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrReMo
_chemical_formula_sum   'Cr2 Re2 Mo2'
_cell_volume   86.18
_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
  Cr  Cr0  2  0.45  0.0  0.64  1.0
  Re  Re1  2  0.42  0.5  0.11  1.0
  Mo  Mo2  2  0.29  0.5  0.98  1.0

Cr Re Mo