data_Zr2GeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12
_cell_length_b   7.12
_cell_length_c   7.12
_cell_angle_alpha   32.22
_cell_angle_beta   32.22
_cell_angle_gamma   32.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2GeSb
_chemical_formula_sum   'Zr2 Ge1 Sb1'
_cell_volume   91.2
_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  Zr2  1  0.0  0.0  0.98  1.0
  Zr  Zr3  1  0.0  0.0  0.25  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.12  1.0

data_Zr2GeSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.84
_cell_length_b   3.95
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   108.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2GeSb
_chemical_formula_sum   'Zr4 Ge2 Sb2'
_cell_volume   182.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.02  1.0
  Zr  Zr1  2  0.0  0.0  0.75  1.0
  Ge  Ge2  2  0.0  0.0  0.0  1.0
  Sb  Sb3  2  0.0  0.0  0.88  1.0

Zr Zr Ge Sb