data_TaGe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   2.89
_cell_angle_alpha   104.49
_cell_angle_beta   104.49
_cell_angle_gamma   110.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGe2Pt
_chemical_formula_sum   'Ta1 Ge2 Pt1'
_cell_volume   67.47
_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  Ta3  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.86  0.17  0.3  1.0
  Ge  Ge1  1  0.86  0.83  0.3  1.0
  Pt  Pt2  1  0.99  0.0  0.0  1.0

data_TaGe2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   110.97
_cell_angle_beta   104.49
_cell_angle_gamma   104.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaGe2Pt
_chemical_formula_sum   'Ta1 Ge2 Pt1'
_cell_volume   67.47
_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  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.3  0.86  0.83  1.0
  Ge  Ge2  1  0.3  0.86  0.17  1.0
  Pt  Pt3  1  0.0  0.99  0.0  1.0

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