data_Cr5Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   4.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   153.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr5Mo
_chemical_formula_sum   'Cr5 Mo1'
_cell_volume   74.03
_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  0.46  0.09  0.0  1.0
  Cr  Cr1  1  0.46  0.91  0.0  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Cr  Cr3  1  0.46  0.95  0.06  1.0
  Cr  Cr4  1  0.46  0.05  0.06  1.0
  Mo  Mo5  1  0.46  0.0  0.06  1.0

data_Cr5Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.12
_cell_length_c   6.33
_cell_angle_alpha   90.0
_cell_angle_beta   103.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr5Mo
_chemical_formula_sum   'Cr5 Mo1'
_cell_volume   74.03
_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  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.05  0.94  0.59  1.0
  Cr  Cr2  1  0.09  -0.0  0.63  1.0
  Cr  Cr3  1  0.91  -0.0  0.45  1.0
  Cr  Cr4  1  0.95  0.94  0.5  1.0
  Mo  Mo5  1  0.0  0.94  0.54  1.0

Cr Cr Cr Cr Cr Mo