data_[K4Sm4Sb4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sm  1.1700  1.8500  1.2290
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5560]
_cell_length_b [17.1160]
_cell_length_c [11.2835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KSmSbTe3]
_chemical_formula_sum '[K4 Sm4 Sb4 Te12]'
_cell_volume [879.8828]
_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
[
  K  K0  4  0.0000  0.2682  0.7500  1
  Sm  Sm1  4  0.0000  0.5000  0.0000  1
  Sb  Sb2  4  0.0000  0.0304  0.2500  1
  Te  Te3  8  0.0000  0.1296  0.0368  1
  Te  Te4  4  0.0000  0.3954  0.2500  1
]