data_ZrGe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   137.49
_cell_angle_beta   137.49
_cell_angle_gamma   61.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGe2Cl
_chemical_formula_sum   'Zr1 Ge2 Cl1'
_cell_volume   78.56
_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  0.02  0.4  1.0
  Ge  Ge1  1  0.02  0.0  0.4  1.0
  Ge  Ge2  1  0.0  0.0  0.79  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_ZrGe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   5.58
_cell_angle_alpha   111.25
_cell_angle_beta   111.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGe2Cl
_chemical_formula_sum   'Zr1 Ge2 Cl1'
_cell_volume   78.56
_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  0.63  0.02  0.63  1.0
  Ge  Ge1  1  0.21  0.0  0.21  1.0
  Ge  Ge2  1  0.6  0.0  0.63  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Zr Ge Ge Cl