data_[Sm6Er2]
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
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5564]
_cell_length_b [3.6564]
_cell_length_c [8.5571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2942]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm3Er]
_chemical_formula_sum '[Sm6 Er2]'
_cell_volume [266.5691]
_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  0.0841  0.7500  0.6636  1
  Sm  Sm1  2  0.1691  0.7500  0.0861  1
  Sm  Sm2  2  0.4162  0.2500  0.8318  1
  Er  Er3  2  0.3358  0.2500  0.4192  1
]