data_ZrNi2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   137.99
_cell_angle_beta   128.96
_cell_angle_gamma   68.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi2Ge
_chemical_formula_sum   'Zr1 Ni2 Ge1'
_cell_volume   60.0
_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  0.11  0.09  1.0
  Ni  Ni1  1  0.0  0.11  0.81  1.0
  Ni  Ni2  1  0.0  0.0  0.01  1.0
  Ge  Ge0  1  0.0  0.0  0.25  1.0

data_ZrNi2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.22
_cell_length_c   4.9
_cell_angle_alpha   115.52
_cell_angle_beta   111.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi2Ge
_chemical_formula_sum   'Zr1 Ni2 Ge1'
_cell_volume   60.0
_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  0.89  0.98  0.98  1.0
  Ni  Ni1  1  0.0  0.01  0.01  1.0
  Ni  Ni2  1  0.89  0.7  0.7  1.0
  Ge  Ge3  1  0.0  0.25  0.25  1.0

Zr Ni Ni Ge