data_ZrGe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.78
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGe2Pt
_chemical_formula_sum   'Zr1 Ge2 Pt1'
_cell_volume   71.7
_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
  Zr  Zr3  1  0.0  0.0  0.41  1.0
  Ge  Ge0  1  0.64  0.89  0.72  1.0
  Ge  Ge1  1  0.0  0.0  0.56  1.0
  Pt  Pt2  1  0.64  0.89  0.71  1.0

data_ZrGe2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   3.78
_cell_length_c   5.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGe2Pt
_chemical_formula_sum   'Zr1 Ge2 Pt1'
_cell_volume   71.7
_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
  Zr  Zr0  1  0.0  0.0  0.41  1.0
  Ge  Ge1  1  0.0  0.0  0.56  1.0
  Ge  Ge2  1  0.64  0.89  0.72  1.0
  Pt  Pt3  1  0.64  0.89  0.71  1.0

Zr Ge Ge Pt
Zr Ge Ge Pt 0 2 o o o 1 3 o o o 