data_Ba2TlGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   8.51
_cell_angle_alpha   100.24
_cell_angle_beta   100.24
_cell_angle_gamma   45.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TlGe
_chemical_formula_sum   'Ba2 Tl1 Ge1'
_cell_volume   167.4
_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
  Ba  Ba0  1  0.81  0.0  0.82  1.0
  Ba  Ba1  1  0.3  0.0  0.53  1.0
  Tl  Tl3  1  0.05  0.0  0.17  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0

data_Ba2TlGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   5.29
_cell_length_c   8.51
_cell_angle_alpha   100.24
_cell_angle_beta   90.0
_cell_angle_gamma   112.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TlGe
_chemical_formula_sum   'Ba2 Tl1 Ge1'
_cell_volume   167.4
_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
  Ba  Ba0  1  0.0  0.19  0.18  1.0
  Ba  Ba1  1  0.0  0.7  0.47  1.0
  Tl  Tl2  1  0.0  0.95  0.83  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Ba Ba Tl Ge