data_TiCoW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   143.43
_cell_angle_beta   128.17
_cell_angle_gamma   65.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCoW2
_chemical_formula_sum   'Ti1 Co1 W2'
_cell_volume   59.36
_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  0.16  1.0
  Co  Co0  1  0.0  0.2  0.01  1.0
  W  W2  1  0.0  0.2  0.22  1.0
  W  W3  1  0.0  0.0  0.37  1.0

data_TiCoW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.41
_cell_length_c   5.04
_cell_angle_alpha   115.92
_cell_angle_beta   108.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCoW2
_chemical_formula_sum   'Ti1 Co1 W2'
_cell_volume   59.36
_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  0.84  0.84  0.84  1.0
  Co  Co1  1  0.99  0.19  0.19  1.0
  W  W2  1  0.63  0.63  0.63  1.0
  W  W3  1  0.78  0.99  0.99  1.0

Ti Co W W
Ti Co W W 0 2 o o o 0 3 o o o 1 2 o o o 