data_Zr2GeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   125.19
_cell_angle_beta   125.19
_cell_angle_gamma   81.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2GeSb
_chemical_formula_sum   'Zr2 Ge1 Sb1'
_cell_volume   84.18
_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  0.34  0.93  1.0
  Zr  Zr3  1  0.34  0.0  0.93  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.85  1.0

data_Zr2GeSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.61
_cell_length_b   6.61
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   130.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2GeSb
_chemical_formula_sum   'Zr4 Ge2 Sb2'
_cell_volume   168.36
_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  4  0.24  0.17  0.41  1.0
  Ge  Ge1  2  0.0  0.0  0.0  1.0
  Sb  Sb2  2  0.15  0.0  0.15  1.0

Zr Zr Ge Sb