data_Ta3Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   116.89
_cell_angle_beta   116.89
_cell_angle_gamma   116.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Ge
_chemical_formula_sum   'Ta3 Ge1'
_cell_volume   70.33
_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  Ta1  1  0.0  0.65  0.96  1.0
  Ta  Ta2  1  0.7  0.67  0.96  1.0
  Ta  Ta3  1  0.3  0.67  0.96  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_Ta3Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   116.89
_cell_angle_beta   100.27
_cell_angle_gamma   100.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Ge
_chemical_formula_sum   'Ta3 Ge1'
_cell_volume   70.33
_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  0.96  0.26  0.29  1.0
  Ta  Ta1  1  0.96  0.66  0.29  1.0
  Ta  Ta2  1  0.96  0.96  0.31  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Ta Ta Ta Ge