data_[Ca2La6Dy4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  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 [7.2647]
_cell_length_b [12.5680]
_cell_length_c [7.3635]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3057]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaLa3(DySe3)2]
_chemical_formula_sum '[Ca2 La6 Dy4 Se12]'
_cell_volume [634.5090]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.0000  1.0
  La  La1  4  0.0000  0.1650  0.5000  1.0
  La  La2  2  0.0000  0.5000  0.5000  1.0
  Dy  Dy3  4  0.0000  0.3328  0.0000  1.0
  Se  Se4  8  0.2450  0.1676  0.2332  1.0
  Se  Se5  4  0.2417  0.5000  0.2303  1.0
]