data_[Ca4Dy4Cu4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Dy  1.2200  1.7500  1.1310
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0084]
_cell_length_b [13.2544]
_cell_length_c [10.6460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CaDyCuSe3]
_chemical_formula_sum '[Ca4 Dy4 Cu4 Se12]'
_cell_volume [565.6029]
_cell_formula_units_Z [4]
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
[
  Ca  Ca0  4  0.0000  0.2424  0.7500  1.0
  Dy  Dy1  4  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.0000  0.4756  0.2500  1.0
  Se  Se3  8  0.0000  0.3576  0.0724  1.0
  Se  Se4  4  0.0000  0.0886  0.2500  1.0
]