data_[Sm4Mn4Sn8Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [Cmc2_1]
_cell_length_a [4.3566]
_cell_length_b [20.3661]
_cell_length_c [14.1369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [SmMnSn2Te5]
_chemical_formula_sum '[Sm4 Mn4 Sn8 Te20]'
_cell_volume [1254.3289]
_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
[
  Sm  Sm0  4  0.0000  0.1914  0.0209  1
  Mn  Mn1  4  0.0000  0.4351  0.4228  1
  Sn  Sn2  4  0.0000  0.0760  0.3683  1
  Sn  Sn3  4  0.0000  0.1720  0.6688  1
  Te  Te4  4  0.0000  0.0282  0.0235  1
  Te  Te5  4  0.0000  0.3146  0.3584  1
  Te  Te6  4  0.0000  0.3163  0.6768  1
  Te  Te7  4  0.0000  0.3421  0.0192  1
  Te  Te8  4  0.0000  0.4963  0.7653  1
]