data_[Ca3Dy3Ho12S24]
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
  Ho  1.2300  1.7500  1.0410
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.0558]
_cell_length_b [8.0558]
_cell_length_c [19.7614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CaDy(HoS2)4]
_chemical_formula_sum '[Ca3 Dy3 Ho12 S24]'
_cell_volume [1110.6191]
_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
[
  Ca  Ca0  3  0.0000  0.0000  0.6252  1.0
  Dy  Dy1  3  0.0000  0.0000  0.9980  1.0
  Ho  Ho2  9  0.0052  0.5026  0.5007  1.0
  Ho  Ho3  3  0.0000  0.0000  0.3750  1.0
  S  S4  9  0.0202  0.5101  0.7529  1.0
  S  S5  9  0.1804  0.3609  0.5794  1.0
  S  S6  3  0.0000  0.0000  0.2421  1.0
  S  S7  3  0.0000  0.0000  0.7607  1.0
]