data_[Sm5Ho5Er1]
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
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.0758]
_cell_length_b [6.0758]
_cell_length_c [11.6585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Sm5Ho5Er]
_chemical_formula_sum '[Sm5 Ho5 Er1]'
_cell_volume [372.7182]
_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  2  0.0000  0.0000  0.3157  1
  Sm  Sm1  2  0.3333  0.6667  0.1538  1
  Sm  Sm2  1  0.6667  0.3333  0.0000  1
  Ho  Ho3  3  0.0010  0.5005  0.5000  1
  Ho  Ho4  2  0.6667  0.3333  0.2654  1
  Er  Er5  1  0.0000  0.0000  0.0000  1
]