data_CrSi2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   2.73
_cell_angle_alpha   100.8
_cell_angle_beta   100.8
_cell_angle_gamma   110.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSi2Mo
_chemical_formula_sum   'Cr1 Si2 Mo1'
_cell_volume   53.46
_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
  Si  Si2  1  0.9  0.08  0.29  1.0
  Si  Si3  1  0.9  0.92  0.29  1.0
  Mo  Mo1  1  0.69  0.0  0.0  1.0

data_CrSi2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.7
_cell_length_c   4.7
_cell_angle_alpha   110.16
_cell_angle_beta   100.8
_cell_angle_gamma   100.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSi2Mo
_chemical_formula_sum   'Cr1 Si2 Mo1'
_cell_volume   53.46
_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
  Si  Si1  1  0.29  0.9  0.08  1.0
  Si  Si2  1  0.29  0.9  0.92  1.0
  Mo  Mo3  1  0.0  0.69  0.0  1.0

Cr Si Si Mo
Cr Si Si Mo 0 2 - - o 0 1 - o o 1 2 o - o 1 3 o o o 