data_CrSi2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   8.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSi2W
_chemical_formula_sum   'Cr1 Si2 W1'
_cell_volume   55.47
_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  0.96  1.0
  Si  Si1  1  0.59  0.0  0.13  1.0
  Si  Si2  1  0.0  0.0  0.13  1.0
  W  W3  1  0.59  0.0  0.06  1.0

data_CrSi2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   8.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSi2W
_chemical_formula_sum   'Cr1 Si2 W1'
_cell_volume   55.47
_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  0.96  1.0
  Si  Si1  1  0.0  0.0  0.13  1.0
  Si  Si2  1  0.59  0.0  0.13  1.0
  W  W3  1  0.59  0.0  0.06  1.0

Cr Si Si W
Cr Si Si W 0 3 - o + 0 2 o o + 1 3 o o o 1 2 + o o 2 3 - o o 