data_[K2Pr6Sm4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7564]
_cell_length_b [4.2273]
_cell_length_c [8.6312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5399]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KPr3(SmSe3)2]
_chemical_formula_sum '[K2 Pr6 Sm4 Se12]'
_cell_volume [665.3354]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.0000  1.0
  Pr  Pr1  4  0.1622  0.0000  0.8261  1.0
  Pr  Pr2  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm3  4  0.1675  0.0000  0.3395  1.0
  Se  Se4  4  0.0051  0.0000  0.2617  1.0
  Se  Se5  4  0.1676  0.5000  0.5791  1.0
  Se  Se6  4  0.1717  0.5000  0.0912  1.0
]