data_[Sm4Ho10Sc10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5891]
_cell_length_b [4.8186]
_cell_length_c [10.9018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5877]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2(HoSc)5]
_chemical_formula_sum '[Sm4 Ho10 Sc10]'
_cell_volume [685.3357]
_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
[
  Sm  Sm0  4  0.0822  0.0000  0.7523  1
  Ho  Ho1  4  0.1647  0.0000  0.4983  1
  Ho  Ho2  4  0.2466  0.0000  0.2451  1
  Ho  Ho3  2  0.0000  0.0000  0.0000  1
  Sc  Sc4  4  0.0830  0.5000  0.2482  1
  Sc  Sc5  4  0.1674  0.5000  0.0014  1
  Sc  Sc6  2  0.0000  0.5000  0.5000  1
]