data_[Sm4Er12Ru4]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6774]
_cell_length_b [8.4362]
_cell_length_c [8.0862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.1076]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmEr3Ru]
_chemical_formula_sum '[Sm4 Er12 Ru4]'
_cell_volume [581.5714]
_cell_formula_units_Z [4]
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  0.0531  0.0000  0.3415  1.0
  Er  Er1  8  0.2457  0.3018  0.7927  1.0
  Er  Er2  4  0.0549  0.5000  0.2561  1.0
  Ru  Ru3  4  0.2471  0.5000  0.1105  1.0
]