data_[Sm8Y6Er2]
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 [11.5219]
_cell_length_b [7.3437]
_cell_length_c [6.3627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Sm4Y3Er]
_chemical_formula_sum '[Sm8 Y6 Er2]'
_cell_volume [538.3669]
_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  0.2486  0.8733  0.0193  1.0
  Sm  Sm1  2  0.0000  0.1260  0.8493  1.0
  Sm  Sm2  2  0.0000  0.8737  0.3520  1.0
  Y  Y3  4  0.2498  0.3771  0.0189  1.0
  Y  Y4  2  0.0000  0.3767  0.3534  1.0
  Er  Er5  2  0.0000  0.6227  0.8536  1.0
]