data_TiZn2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   4.39
_cell_angle_alpha   121.19
_cell_angle_beta   121.19
_cell_angle_gamma   87.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZn2Pt
_chemical_formula_sum   'Ti1 Zn2 Pt1'
_cell_volume   58.64
_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  0.0  1.0
  Zn  Zn2  1  0.15  0.0  0.58  1.0
  Zn  Zn3  1  0.0  0.15  0.58  1.0
  Pt  Pt0  1  0.0  0.0  0.16  1.0

data_TiZn2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   4.39
_cell_angle_alpha   90.0
_cell_angle_beta   133.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiZn2Pt
_chemical_formula_sum   'Ti2 Zn4 Pt2'
_cell_volume   117.27
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Zn  Zn1  4  0.5  0.08  0.58  1.0
  Pt  Pt2  2  0.34  0.5  0.84  1.0

Ti Zn Zn Pt