data_[Ca1Tb4Ho15]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.0113]
_cell_length_b [5.0113]
_cell_length_c [25.1103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [CaTb4Ho15]
_chemical_formula_sum '[Ca1 Tb4 Ho15]'
_cell_volume [630.6094]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Tb  Tb1  2  0.0000  0.0000  0.2015  1
  Tb  Tb2  2  0.0000  0.0000  0.4006  1
  Ho  Ho3  4  0.0000  0.5000  0.1045  1
  Ho  Ho4  4  0.0000  0.5000  0.3016  1
  Ho  Ho5  2  0.0000  0.5000  0.5000  1
  Ho  Ho6  2  0.5000  0.5000  0.2011  1
  Ho  Ho7  2  0.5000  0.5000  0.4004  1
  Ho  Ho8  1  0.5000  0.5000  0.0000  1
]