data_[Ca2Sm6Y12Ho4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2528]
_cell_length_b [10.8263]
_cell_length_c [11.9255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0636]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaSm3(Y3Ho)2]
_chemical_formula_sum '[Ca2 Sm6 Y12 Ho4]'
_cell_volume [794.8756]
_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
  Sm  Sm1  4  0.0000  0.1655  0.5000  1.0
  Sm  Sm2  2  0.0000  0.5000  0.5000  1.0
  Y  Y3  8  0.2463  0.3305  0.7493  1.0
  Y  Y4  4  0.2454  0.5000  0.2509  1.0
  Ho  Ho5  4  0.0000  0.3335  0.0000  1.0
]