data_[Sr4Tl4Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9254]
_cell_length_b [4.7045]
_cell_length_c [7.7105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.8059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrTlGe]
_chemical_formula_sum '[Sr4 Tl4 Ge4]'
_cell_volume [346.3551]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  4  0.0688  0.5000  0.3198  1.0
  Tl  Tl1  4  0.1778  0.0000  0.0852  1.0
  Ge  Ge2  4  0.1395  0.0000  0.6581  1.0
]