data_[Ca2Pm6Ho12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pm  1.1300  1.8500  1.1100
  Ho  1.2300  1.7500  1.0410
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0392]
_cell_length_b [6.8665]
_cell_length_c [5.9300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8286]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca(PmHo2)3]
_chemical_formula_sum '[Ca2 Pm6 Ho12]'
_cell_volume [713.2379]
_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  2  0.0000  0.5000  0.5000  1
  Pm  Pm1  4  0.1474  0.5000  0.1009  1
  Pm  Pm2  2  0.0000  0.0000  0.0000  1
  Ho  Ho3  8  0.1695  0.2384  0.6028  1
  Ho  Ho4  4  0.1864  0.0000  0.1041  1
]