data_Ti2CrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   145.28
_cell_angle_beta   129.18
_cell_angle_gamma   63.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CrW
_chemical_formula_sum   'Ti2 Cr1 W1'
_cell_volume   61.21
_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  0.55  0.0  0.31  1.0
  Ti  Ti2  1  0.0  0.0  0.69  1.0
  Cr  Cr0  1  0.0  0.0  0.12  1.0
  W  W3  1  0.55  0.0  0.16  1.0

data_Ti2CrW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.46
_cell_length_c   5.19
_cell_angle_alpha   115.41
_cell_angle_beta   107.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CrW
_chemical_formula_sum   'Ti2 Cr1 W1'
_cell_volume   61.21
_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  0.24  0.69  0.24  1.0
  Ti  Ti1  1  0.31  0.31  0.31  1.0
  Cr  Cr2  1  0.88  0.88  0.88  1.0
  W  W3  1  0.39  0.84  0.39  1.0

Ti Ti Cr W