data_[K4Sr4Sn4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.8936]
_cell_length_b [14.4388]
_cell_length_c [12.0692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KSrSnSe3]
_chemical_formula_sum '[K4 Sr4 Sn4 Se12]'
_cell_volume [852.7851]
_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  0.2420  0.2500  1.0
  Sr  Sr1  4  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  4  0.0000  0.4846  0.7500  1.0
  Se  Se3  8  0.0000  0.3720  0.5815  1.0
  Se  Se4  4  0.0000  0.0692  0.7500  1.0
]