data_[Sm8Er48Zr4]
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
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0194]
_cell_length_b [11.0596]
_cell_length_c [23.8333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1572]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Er12Zr]
_chemical_formula_sum '[Sm8 Er48 Zr4]'
_cell_volume [1845.3386]
_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  0.0663  0.0000  0.2726  1
  Sm  Sm1  4  0.0717  0.5000  0.2773  1
  Er  Er2  8  0.0160  0.2546  0.0628  1
  Er  Er3  8  0.1117  0.2546  0.4441  1
  Er  Er4  8  0.1675  0.2517  0.6719  1
  Er  Er5  8  0.2030  0.2499  0.8108  1
  Er  Er6  4  0.0300  0.0000  0.1237  1
  Er  Er7  4  0.0324  0.5000  0.1293  1
  Er  Er8  4  0.1391  0.0000  0.5769  1
  Er  Er9  4  0.1468  0.5000  0.5719  1
  Zr  Zr10  4  0.2245  0.5000  1.0000  1
]