data_[K1Sm1Sn2Te4]
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
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.0029]
_cell_length_b [4.5574]
_cell_length_c [8.0040]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2490]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KSm(SnTe2)2]
_chemical_formula_sum '[K1 Sm1 Sn2 Te4]'
_cell_volume [277.2396]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1
  Sm  Sm1  1  0.0000  0.0000  0.0000  1
  Sn  Sn2  1  0.0000  0.5000  0.5000  1
  Sn  Sn3  1  0.5000  0.0000  0.5000  1
  Te  Te4  2  0.2255  0.0000  0.7395  1
  Te  Te5  2  0.2335  0.5000  0.2509  1
]