data_[Ce2Sm4Dy6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  Dy  1.2200  1.7500  1.1310
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1171]
_cell_length_b [4.0994]
_cell_length_c [8.3047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0115]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeSm2(DySe2)3]
_chemical_formula_sum '[Ce2 Sm4 Dy6 Se12]'
_cell_volume [598.4357]
_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
[
  Ce  Ce0  2  0.0000  0.5000  0.0000  1.0
  Sm  Sm1  4  0.1654  0.0000  0.3305  1.0
  Dy  Dy2  4  0.1665  0.0000  0.8347  1.0
  Dy  Dy3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.0023  0.0000  0.7432  1.0
  Se  Se5  4  0.1654  0.5000  0.5883  1.0
  Se  Se6  4  0.1696  0.5000  0.0787  1.0
]