data_Ta3Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   141.57
_cell_angle_beta   129.19
_cell_angle_gamma   65.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Ge
_chemical_formula_sum   'Ta3 Ge1'
_cell_volume   70.21
_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  0.27  0.19  1.0
  Ta  Ta2  1  0.74  0.0  0.26  1.0
  Ta  Ta3  1  0.0  0.0  0.45  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   3.48
_cell_length_b   4.54
_cell_length_c   5.29
_cell_angle_alpha   115.4
_cell_angle_beta   109.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Ge
_chemical_formula_sum   'Ta3 Ge1'
_cell_volume   70.21
_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  0.0  0.26  0.52  1.0
  Ta  Ta1  1  0.0  0.45  0.45  1.0
  Ta  Ta2  1  0.73  0.92  0.92  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Ta Ta Ta Ge