data_[Mn4Sn8Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.2985]
_cell_length_b [4.4295]
_cell_length_c [19.0839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [MnSn2Te3]
_chemical_formula_sum '[Mn4 Sn8 Te12]'
_cell_volume [786.0243]
_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  0.1400  0.7500  0.8574  1
  Sn  Sn1  4  0.0808  0.7500  0.2532  1
  Sn  Sn2  4  0.2298  0.7500  0.5100  1
  Te  Te3  4  0.0061  0.7500  0.0952  1
  Te  Te4  4  0.1009  0.2500  0.4229  1
  Te  Te5  4  0.2029  0.7500  0.7192  1
]