data_[Ca2Sm5Ho4]
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-1]
_cell_length_a [6.2547]
_cell_length_b [8.0867]
_cell_length_c [8.1613]
_cell_angle_alpha [107.4763]
_cell_angle_beta [105.0189]
_cell_angle_gamma [97.5143]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ca2Sm5Ho4]
_chemical_formula_sum '[Ca2 Sm5 Ho4]'
_cell_volume [370.4175]
_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  2  0.3680  0.2700  0.9551  1
  Sm  Sm1  2  0.0828  0.8131  0.8564  1
  Sm  Sm2  2  0.1761  0.6395  0.2369  1
  Sm  Sm3  1  0.0000  0.0000  0.5000  1
  Ho  Ho4  2  0.2675  0.4558  0.5785  1
  Ho  Ho5  2  0.4508  0.0944  0.3298  1
]