data_[Mn8Sn4Te12]
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 [Cmcm]
_cell_length_a [3.8333]
_cell_length_b [14.0683]
_cell_length_c [11.0684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Mn2SnTe3]
_chemical_formula_sum '[Mn8 Sn4 Te12]'
_cell_volume [596.9030]
_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  0.0000  0.0000  1
  Mn  Mn1  4  0.0000  0.3878  0.2500  1
  Sn  Sn2  4  0.0000  0.2566  0.7500  1
  Te  Te3  8  0.0000  0.3640  0.0120  1
  Te  Te4  4  0.0000  0.0225  0.2500  1
]