data_[Ca2Pr6Sm12Ho4]
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
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.3523]
_cell_length_b [10.9434]
_cell_length_c [12.0110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaPr3(Sm3Ho)2]
_chemical_formula_sum '[Ca2 Pr6 Sm12 Ho4]'
_cell_volume [822.6379]
_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  0.0000  0.0000  1.0
  Pr  Pr1  4  0.0000  0.1659  0.5000  1.0
  Pr  Pr2  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm3  8  0.2462  0.3299  0.7523  1.0
  Sm  Sm4  4  0.2430  0.5000  0.2482  1.0
  Ho  Ho5  4  0.0000  0.3342  0.0000  1.0
]