data_Ta2GaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   2.92
_cell_angle_alpha   100.32
_cell_angle_beta   100.32
_cell_angle_gamma   109.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2GaGe
_chemical_formula_sum   'Ta2 Ga1 Ge1'
_cell_volume   67.77
_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  0.01  0.92  0.39  1.0
  Ta  Ta3  1  0.01  0.08  0.39  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.93  0.0  0.0  1.0

data_Ta2GaGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   109.85
_cell_angle_beta   100.32
_cell_angle_gamma   100.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2GaGe
_chemical_formula_sum   'Ta2 Ga1 Ge1'
_cell_volume   67.77
_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  0.39  0.01  0.08  1.0
  Ta  Ta1  1  0.39  0.01  0.92  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.0  0.93  0.0  1.0

Ta Ta Ga Ge