data_[Sm1Y1Ho6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P-1]
_cell_length_a [6.1246]
_cell_length_b [6.1618]
_cell_length_c [7.1010]
_cell_angle_alpha [106.6284]
_cell_angle_beta [90.0338]
_cell_angle_gamma [100.0897]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SmYHo6]
_chemical_formula_sum '[Sm1 Y1 Ho6]'
_cell_volume [252.4344]
_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
[
  Sm  Sm0  1  0.0000  0.0000  0.0000  1.0
  Y  Y1  1  0.0000  0.0000  0.5000  1.0
  Ho  Ho2  2  0.2502  0.5008  0.8754  1.0
  Ho  Ho3  2  0.2509  0.5015  0.3752  1.0
  Ho  Ho4  2  0.4997  0.0001  0.7499  1.0
]