data_CrSbMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   142.17
_cell_angle_beta   142.17
_cell_angle_gamma   54.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSbMo
_chemical_formula_sum   'Cr1 Sb1 Mo1'
_cell_volume   47.78
_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  0.04  1.0
  Sb  Sb2  1  0.0  0.0  0.02  1.0
  Mo  Mo1  1  0.0  0.0  0.9  1.0

data_CrSbMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   117.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrSbMo
_chemical_formula_sum   'Cr2 Sb2 Mo2'
_cell_volume   95.56
_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  0.0  0.0  0.96  1.0
  Sb  Sb1  2  0.0  0.0  0.98  1.0
  Mo  Mo2  2  0.0  0.0  0.1  1.0

Cr Sb Mo