data_[Rb2Ca1Ce1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ca  1.0000  1.8000  1.1400
  Ce  1.1200  1.8500  1.0800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1937]
_cell_length_b [4.2248]
_cell_length_c [8.0180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5989]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Rb2CaCeS4]
_chemical_formula_sum '[Rb2 Ca1 Ce1 S4]'
_cell_volume [232.2784]
_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
[
  Rb  Rb0  1  0.0000  0.5000  0.5000  1.0
  Rb  Rb1  1  0.5000  0.0000  0.5000  1.0
  Ca  Ca2  1  0.5000  0.5000  0.0000  1.0
  Ce  Ce3  1  0.0000  0.0000  0.0000  1.0
  S  S4  2  0.2196  0.5000  0.1923  1.0
  S  S5  2  0.2534  0.0000  0.8085  1.0
]