data_ZrGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   7.0
_cell_angle_alpha   112.4
_cell_angle_beta   112.4
_cell_angle_gamma   40.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGe
_chemical_formula_sum   'Zr3 Ge3'
_cell_volume   118.72
_cell_formula_units_Z   3
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  0.39  0.0  0.09  1.0
  Zr  Zr4  1  0.31  0.0  0.84  1.0
  Zr  Zr5  1  0.32  0.0  0.14  1.0
  Ge  Ge0  1  0.89  0.0  0.06  1.0
  Ge  Ge1  1  0.11  0.0  0.12  1.0
  Ge  Ge2  1  0.66  0.0  0.88  1.0

data_ZrGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   5.35
_cell_length_c   7.0
_cell_angle_alpha   112.4
_cell_angle_beta   90.0
_cell_angle_gamma   110.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGe
_chemical_formula_sum   'Zr3 Ge3'
_cell_volume   118.72
_cell_formula_units_Z   3
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  0.61  0.91  1.0
  Zr  Zr1  1  0.0  0.68  0.86  1.0
  Zr  Zr2  1  0.0  0.69  0.16  1.0
  Ge  Ge3  1  0.0  0.11  0.94  1.0
  Ge  Ge4  1  0.0  0.34  0.12  1.0
  Ge  Ge5  1  0.0  0.89  0.88  1.0

Zr Zr Zr Ge Ge Ge