data_[Sm6Y4Er12Zr2]
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
  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 [6.1038]
_cell_length_b [10.5354]
_cell_length_c [11.6310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3Y2Er6Zr]
_chemical_formula_sum '[Sm6 Y4 Er12 Zr2]'
_cell_volume [736.4257]
_cell_formula_units_Z [2]
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  0.0000  0.1663  0.5000  1.0
  Sm  Sm1  2  0.0000  0.5000  0.5000  1.0
  Y  Y2  4  0.0000  0.3334  0.0000  1.0
  Er  Er3  8  0.2436  0.1631  0.2431  1.0
  Er  Er4  4  0.2455  0.0000  0.7572  1.0
  Zr  Zr5  2  0.0000  0.0000  0.0000  1.0
]