data_[Ca4Pr8Ho4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pr  1.1300  1.8500  1.0600
  Ho  1.2300  1.7500  1.0410
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3808]
_cell_length_b [3.6273]
_cell_length_c [9.3381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2920]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaPr2Ho]
_chemical_formula_sum '[Ca4 Pr8 Ho4]'
_cell_volume [585.1828]
_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  0.1464  0.5000  0.9431  1.0
  Pr  Pr1  4  0.0408  0.0000  0.2357  1.0
  Pr  Pr2  4  0.2324  0.5000  0.3321  1.0
  Ho  Ho3  4  0.0921  0.5000  0.5651  1.0
]