data_[Ca8Dy4Ga4Se20]
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
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0120]
_cell_length_b [18.4406]
_cell_length_c [12.4680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ca2DyGaSe5]
_chemical_formula_sum '[Ca8 Dy4 Ga4 Se20]'
_cell_volume [922.4406]
_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  0.1167  0.6783  1.0
  Ca  Ca1  4  0.0000  0.1221  0.3229  1.0
  Dy  Dy2  4  0.0000  0.2072  0.0252  1.0
  Ga  Ga3  4  0.0000  0.4430  0.4340  1.0
  Se  Se4  4  0.0000  0.0442  0.0487  1.0
  Se  Se5  4  0.0000  0.2933  0.6826  1.0
  Se  Se6  4  0.0000  0.3174  0.3607  1.0
  Se  Se7  4  0.0000  0.3580  0.0050  1.0
  Se  Se8  4  0.0000  0.4966  0.7666  1.0
]