data_[Mn2Tl2Si4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2405]
_cell_length_b [2.9140]
_cell_length_c [6.5204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7797]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnTlSi2]
_chemical_formula_sum '[Mn2 Tl2 Si4]'
_cell_volume [146.3903]
_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
[
  Mn  Mn0  2  0.2743  0.5000  0.0916  1
  Tl  Tl1  2  0.4036  0.0000  0.4894  1
  Si  Si2  2  0.0571  0.0000  0.1020  1
  Si  Si3  2  0.2650  0.0000  0.8170  1
]