data_ZrSn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82
_cell_length_b   3.89
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSn2Ge
_chemical_formula_sum   'Zr1 Sn2 Ge1'
_cell_volume   91.58
_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  0.78  0.94  0.28  1.0
  Sn  Sn1  1  0.82  0.94  0.07  1.0
  Sn  Sn2  1  0.89  0.0  0.56  1.0
  Ge  Ge0  1  0.86  0.0  0.34  1.0

data_ZrSn2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   3.89
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSn2Ge
_chemical_formula_sum   'Zr1 Sn2 Ge1'
_cell_volume   91.58
_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  0.78  0.94  0.28  1.0
  Sn  Sn1  1  0.82  0.94  0.07  1.0
  Sn  Sn2  1  0.89  0.0  0.56  1.0
  Ge  Ge3  1  0.86  0.0  0.34  1.0

Zr Sn Sn Ge
Zr Sn Sn Ge 0 3 o + o 0 1 o o o 2 3 o o o 