data_[Sm2Y6Er2]
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 [P2_1/m]
_cell_length_a [6.3193]
_cell_length_b [5.6653]
_cell_length_c [9.6462]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmY3Er]
_chemical_formula_sum '[Sm2 Y6 Er2]'
_cell_volume [326.3724]
_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  0.0699  0.7500  0.7989  1
  Y  Y1  2  0.1366  0.2500  0.5984  1
  Y  Y2  2  0.2650  0.7500  0.2026  1
  Y  Y3  2  0.3341  0.2500  0.0012  1
  Er  Er4  2  0.4684  0.7500  0.5993  1
]