data_[Ca4Pr14Ho4]
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 [Cmmm]
_cell_length_a [11.8521]
_cell_length_b [18.3149]
_cell_length_c [3.7287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ca2Pr7Ho2]
_chemical_formula_sum '[Ca4 Pr14 Ho4]'
_cell_volume [809.3951]
_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  4  0.0000  0.2360  0.5000  1
  Pr  Pr1  8  0.2356  0.1589  0.0000  1
  Pr  Pr2  4  0.0000  0.4081  0.0000  1
  Pr  Pr3  2  0.0000  0.0000  0.0000  1
  Ho  Ho4  4  0.2207  0.5000  0.5000  1
]