data_BaTl2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   6.57
_cell_angle_alpha   108.88
_cell_angle_beta   108.88
_cell_angle_gamma   54.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTl2Ge
_chemical_formula_sum   'Ba1 Tl2 Ge1'
_cell_volume   129.84
_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  0.37  0.0  0.06  1.0
  Tl  Tl2  1  0.19  0.0  0.07  1.0
  Tl  Tl3  1  0.54  0.0  0.05  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0

data_BaTl2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.65
_cell_length_b   5.12
_cell_length_c   6.57
_cell_angle_alpha   108.88
_cell_angle_beta   90.0
_cell_angle_gamma   117.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTl2Ge
_chemical_formula_sum   'Ba1 Tl2 Ge1'
_cell_volume   129.84
_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  0.63  0.94  1.0
  Tl  Tl1  1  0.0  0.46  0.95  1.0
  Tl  Tl2  1  0.0  0.81  0.93  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Ba Tl Tl Ge