data_[Sm2Y6Er8]
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
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.2701]
_cell_length_b [7.3055]
_cell_length_c [6.3136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [SmY3Er4]
_chemical_formula_sum '[Sm2 Y6 Er8]'
_cell_volume [519.8255]
_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  2  0.0000  0.3724  0.1462  1.0
  Y  Y1  4  0.2496  0.6273  0.9819  1.0
  Y  Y2  2  0.0000  0.6269  0.6453  1.0
  Er  Er3  4  0.2493  0.8772  0.4806  1.0
  Er  Er4  2  0.0000  0.1228  0.6496  1.0
  Er  Er5  2  0.0000  0.8777  0.1490  1.0
]