data_TiCrW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   144.91
_cell_angle_beta   129.65
_cell_angle_gamma   62.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCrW2
_chemical_formula_sum   'Ti1 Cr1 W2'
_cell_volume   59.66
_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
  Ti  Ti1  1  0.0  0.0  0.54  1.0
  Cr  Cr0  1  0.55  0.0  0.34  1.0
  W  W2  1  0.55  0.0  0.05  1.0
  W  W3  1  0.0  0.0  0.25  1.0

data_TiCrW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.38
_cell_length_c   5.15
_cell_angle_alpha   115.18
_cell_angle_beta   107.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCrW2
_chemical_formula_sum   'Ti1 Cr1 W2'
_cell_volume   59.66
_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
  Ti  Ti0  1  0.0  0.54  0.54  1.0
  Cr  Cr1  1  0.0  0.34  0.79  1.0
  W  W2  1  0.0  0.05  0.49  1.0
  W  W3  1  0.0  0.25  0.25  1.0

Ti Cr W W