data_[Ce3Dy3P3Se3]
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
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.0739]
_cell_length_b [4.0739]
_cell_length_c [20.3420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CeDyPSe]
_chemical_formula_sum '[Ce3 Dy3 P3 Se3]'
_cell_volume [292.3797]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0063  1.0
  Dy  Dy1  3  0.0000  0.0000  0.4937  1.0
  P  P2  3  0.0000  0.0000  0.7529  1.0
  Se  Se3  3  0.0000  0.0000  0.2471  1.0
]