data_Cr2SiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.65
_cell_length_b   4.09
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   103.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2SiW
_chemical_formula_sum   'Cr2 Si1 W1'
_cell_volume   51.88
_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  0.55  0.0  0.08  1.0
  Cr  Cr1  1  0.7  0.05  0.18  1.0
  Si  Si2  1  0.95  0.0  0.34  1.0
  W  W3  1  0.68  0.05  0.57  1.0

data_Cr2SiW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.09
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   103.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2SiW
_chemical_formula_sum   'Cr2 Si1 W1'
_cell_volume   51.88
_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  0.55  0.0  0.08  1.0
  Cr  Cr1  1  0.7  0.05  0.18  1.0
  Si  Si2  1  0.95  0.0  0.34  1.0
  W  W3  1  0.68  0.05  0.57  1.0

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