data_TiPd2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.85
_cell_angle_alpha   99.39
_cell_angle_beta   99.39
_cell_angle_gamma   33.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPd2W
_chemical_formula_sum   'Ti1 Pd2 W1'
_cell_volume   62.5
_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  Ti2  1  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.72  0.0  0.57  1.0
  Pd  Pd1  1  0.81  0.0  0.21  1.0
  W  W3  1  0.27  0.0  0.39  1.0

data_TiPd2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.85
_cell_length_c   4.88
_cell_angle_alpha   99.39
_cell_angle_beta   106.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPd2W
_chemical_formula_sum   'Ti1 Pd2 W1'
_cell_volume   62.5
_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  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.21  0.81  1.0
  Pd  Pd2  1  0.0  0.57  0.72  1.0
  W  W3  1  0.0  0.39  0.27  1.0

Ti Pd Pd W