data_[K2Ce4Ni2S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ce  1.1200  1.8500  1.0800
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4221]
_cell_length_b [6.9496]
_cell_length_c [13.3926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [KCe2NiS5]
_chemical_formula_sum '[K2 Ce4 Ni2 S10]'
_cell_volume [411.5786]
_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
  Ce  Ce1  4  0.0000  0.0000  0.1991  1.0
  Ni  Ni2  2  0.0000  0.5000  0.5000  1.0
  S  S3  8  0.0000  0.2615  0.3553  1.0
  S  S4  2  0.0000  0.0000  0.0000  1.0
]