data_[K3Sm3Y12Se24]
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
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.5890]
_cell_length_b [8.5890]
_cell_length_c [21.2835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [KSm(YSe2)4]
_chemical_formula_sum '[K3 Sm3 Y12 Se24]'
_cell_volume [1359.7613]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6272  1
  Sm  Sm1  3  0.0000  0.0000  0.9950  1
  Y  Y2  9  0.0124  0.5062  0.5015  1
  Y  Y3  3  0.0000  0.0000  0.3746  1
  Se  Se4  9  0.0176  0.5088  0.7536  1
  Se  Se5  9  0.1855  0.3710  0.5764  1
  Se  Se6  3  0.0000  0.0000  0.2425  1
  Se  Se7  3  0.0000  0.0000  0.7660  1
]