data_[Tl3Ge1P3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.5432]
_cell_length_b [19.3022]
_cell_length_c [5.8480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3521]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Tl3GeP3]
_chemical_formula_sum '[Tl3 Ge1 P3]'
_cell_volume [624.6417]
_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
[
  Tl  Tl0  2  0.0908  0.3886  0.0222  1
  Tl  Tl1  1  0.6899  0.5000  0.5050  1
  Ge  Ge2  1  0.5292  0.5000  0.9648  1
  P  P3  2  0.6049  0.3996  0.1698  1
  P  P4  1  0.1713  0.5000  0.7234  1
]