data_[Ca1Sm6Ho2]
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
  Ho  1.2300  1.7500  1.0410
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.6354]
_cell_length_b [3.6354]
_cell_length_c [27.0597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Ca(Sm3Ho)2]
_chemical_formula_sum '[Ca1 Sm6 Ho2]'
_cell_volume [309.7157]
_cell_formula_units_Z [1]
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  1  0.6667  0.3333  0.0000  1
  Sm  Sm1  2  0.3333  0.6667  0.1179  1
  Sm  Sm2  2  0.6667  0.3333  0.2236  1
  Sm  Sm3  2  0.6667  0.3333  0.5656  1
  Ho  Ho4  2  0.3333  0.6667  0.6684  1
]