data_TaZn2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   127.98
_cell_angle_beta   127.98
_cell_angle_gamma   76.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZn2Pt
_chemical_formula_sum   'Ta1 Zn2 Pt1'
_cell_volume   62.18
_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
  Ta  Ta1  1  0.0  0.0  0.68  1.0
  Zn  Zn2  1  0.0  0.06  0.84  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.06  0.0  0.84  1.0

data_TaZn2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   4.69
_cell_angle_alpha   116.01
_cell_angle_beta   116.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaZn2Pt
_chemical_formula_sum   'Ta1 Zn2 Pt1'
_cell_volume   62.18
_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
  Ta  Ta0  1  0.68  0.68  0.68  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.78  0.84  0.78  1.0
  Pt  Pt3  1  0.84  0.78  0.78  1.0

Ta Zn Zn Pt
Ta Zn Zn Pt 0 1 o o o 0 3 o o o 1 3 o o o 1 2 o o + 2 3 o o - 