data_[Mn4Tl8Ga4Te20]
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
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9913]
_cell_length_b [20.2606]
_cell_length_c [14.3200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [MnTl2GaTe5]
_chemical_formula_sum '[Mn4 Tl8 Ga4 Te20]'
_cell_volume [1157.9888]
_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
[
  Mn  Mn0  4  0.0000  0.2068  0.0256  1.0
  Tl  Tl1  4  0.0000  0.1154  0.6786  1.0
  Tl  Tl2  4  0.0000  0.1358  0.3141  1.0
  Ga  Ga3  4  0.0000  0.4350  0.4287  1.0
  Te  Te4  4  0.0000  0.0669  0.0512  1.0
  Te  Te5  4  0.0000  0.2825  0.6514  1.0
  Te  Te6  4  0.0000  0.3049  0.3928  1.0
  Te  Te7  4  0.0000  0.3358  0.0011  1.0
  Te  Te8  4  0.0000  0.4926  0.7805  1.0
]