data_Zr2NiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   3.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2NiGe
_chemical_formula_sum   'Zr2 Ni1 Ge1'
_cell_volume   70.58
_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  0.45  0.91  0.59  1.0
  Zr  Zr3  1  0.45  0.09  0.59  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.91  0.0  0.0  1.0

data_Zr2NiGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   105.41
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2NiGe
_chemical_formula_sum   'Zr2 Ni1 Ge1'
_cell_volume   70.58
_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  0.59  0.45  0.09  1.0
  Zr  Zr1  1  0.59  0.45  0.91  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.91  0.0  1.0

Zr Zr Ni Ge