data_Zr2GeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   136.91
_cell_angle_beta   136.91
_cell_angle_gamma   62.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2GeSb
_chemical_formula_sum   'Zr2 Ge1 Sb1'
_cell_volume   84.39
_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  0.85  1.0
  Zr  Zr3  1  0.0  0.09  0.43  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.09  0.0  0.43  1.0

data_Zr2GeSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   5.68
_cell_angle_alpha   111.55
_cell_angle_beta   111.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2GeSb
_chemical_formula_sum   'Zr2 Ge1 Sb1'
_cell_volume   84.39
_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  0.15  0.0  0.15  1.0
  Zr  Zr1  1  0.66  0.09  0.66  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.57  0.0  0.66  1.0

Zr Zr Ge Sb