data_[Cs2Dy1Lu1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Dy  1.2200  1.7500  1.1310
  Lu  1.2700  1.7500  1.0010
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.0544]
_cell_length_b [4.0544]
_cell_length_c [16.0379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Cs2DyLuS4]
_chemical_formula_sum '[Cs2 Dy1 Lu1 S4]'
_cell_volume [228.3168]
_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
[
  Cs  Cs0  2  0.3333  0.6667  0.2516  1
  Dy  Dy1  1  0.0000  0.0000  0.0000  1
  Lu  Lu2  1  0.0000  0.0000  0.5000  1
  S  S3  2  0.3333  0.6667  0.5886  1
  S  S4  2  0.3333  0.6667  0.9078  1
]