data_[Sm1Er3Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.3309]
_cell_length_b [5.3309]
_cell_length_c [8.7219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [SmEr3Rh8]
_chemical_formula_sum '[Sm1 Er3 Rh8]'
_cell_volume [214.6551]
_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  0.5673  1
  Er  Er1  1  0.0000  0.0000  0.9348  1
  Er  Er2  1  0.6667  0.3333  0.0656  1
  Er  Er3  1  0.6667  0.3333  0.4316  1
  Rh  Rh4  3  0.1644  0.3289  0.2480  1
  Rh  Rh5  3  0.5024  0.0047  0.7525  1
  Rh  Rh6  1  0.3333  0.6667  0.4994  1
  Rh  Rh7  1  0.3333  0.6667  0.9999  1
]