data_[K4Sr8Se4]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0251]
_cell_length_b [4.3537]
_cell_length_c [12.9044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9886]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KSr2Se]
_chemical_formula_sum '[K4 Sr8 Se4]'
_cell_volume [758.7817]
_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  0.1643  0.5000  0.3359  1
  Sr  Sr1  4  0.1715  0.5000  0.8328  1
  Sr  Sr2  2  0.0000  0.0000  0.0000  1
  Sr  Sr3  2  0.0000  0.0000  0.5000  1
  Se  Se4  4  0.1628  0.5000  0.0700  1
]