data_[Tl2Si4P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7431]
_cell_length_b [3.3083]
_cell_length_c [6.1750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TlSi2P]
_chemical_formula_sum '[Tl2 Si4 P2]'
_cell_volume [180.6637]
_cell_formula_units_Z [2]
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  0.4839  0.0000  0.4975  1
  Si  Si1  2  0.2060  0.5000  0.0904  1
  Si  Si2  2  0.4981  0.5000  0.0003  1
  P  P3  2  0.3120  0.0000  0.9118  1
]