data_[K1Sr2Ce1Se4]
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
  Ce  1.1200  1.8500  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6129]
_cell_length_b [4.4496]
_cell_length_c [7.7379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6468]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KSr2CeSe4]
_chemical_formula_sum '[K1 Sr2 Ce1 Se4]'
_cell_volume [248.3565]
_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  1.0
  Sr  Sr1  1  0.0000  0.0000  0.0000  1.0
  Sr  Sr2  1  0.0000  0.5000  0.5000  1.0
  Ce  Ce3  1  0.5000  0.0000  0.5000  1.0
  Se  Se4  2  0.2487  0.0000  0.7279  1.0
  Se  Se5  2  0.2578  0.5000  0.2654  1.0
]