data_[Ce1Dy2Y1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Dy  1.2200  1.7500  1.1310
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8321]
_cell_length_b [3.9189]
_cell_length_c [6.8321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2488]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CeDy2YS4]
_chemical_formula_sum '[Ce1 Dy2 Y1 S4]'
_cell_volume [172.6991]
_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
[
  Ce  Ce0  1  0.0000  0.5000  0.5000  1
  Y  Y1  1  0.0000  0.0000  0.0000  1
  Dy  Dy2  1  0.5000  0.0000  0.5000  1
  Dy  Dy3  1  0.5000  0.5000  0.0000  1
  S  S4  2  0.2543  0.5000  0.2474  1
  S  S5  2  0.2577  0.0000  0.7569  1
]