data_ZrAgGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAgGe2
_chemical_formula_sum   'Zr1 Ag1 Ge2'
_cell_volume   76.56
_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  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.29  1.0
  Ge  Ge1  1  0.14  0.0  0.87  1.0
  Ge  Ge2  1  0.14  0.0  0.72  1.0

data_ZrAgGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   3.46
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAgGe2
_chemical_formula_sum   'Zr1 Ag1 Ge2'
_cell_volume   76.56
_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  0.0  1.0
  Ag  Ag1  1  0.0  0.0  0.29  1.0
  Ge  Ge2  1  0.14  0.0  0.72  1.0
  Ge  Ge3  1  0.14  0.0  0.87  1.0

Zr Ag Ge Ge
Zr Ag Ge Ge 0 2 o o - 0 1 o o o 2 3 o o o 