data_Ta2NiGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   2.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NiGe
_chemical_formula_sum   'Ta2 Ni1 Ge1'
_cell_volume   62.07
_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
  Ta  Ta2  1  0.4  0.9  0.46  1.0
  Ta  Ta3  1  0.4  0.1  0.46  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.79  0.0  0.0  1.0

data_Ta2NiGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   107.41
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NiGe
_chemical_formula_sum   'Ta2 Ni1 Ge1'
_cell_volume   62.07
_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
  Ta  Ta0  1  0.46  0.4  0.9  1.0
  Ta  Ta1  1  0.46  0.4  0.1  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.79  0.0  1.0

Ta Ta Ni Ge
Ta Ta Ni Ge 0 1 o + o 2 3 - o o 