data_[Sm2Y2Er6Th2]
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
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.6304]
_cell_length_b [3.5608]
_cell_length_c [10.6305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1335]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmYEr3Th]
_chemical_formula_sum '[Sm2 Y2 Er6 Th2]'
_cell_volume [380.1597]
_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  0.3715  0.2500  0.8727  1
  Y  Y1  2  0.1224  0.7500  0.2928  1
  Er  Er2  2  0.1256  0.7500  0.9591  1
  Er  Er3  2  0.3747  0.2500  0.5422  1
  Er  Er4  2  0.3751  0.2500  0.2095  1
  Th  Th5  2  0.1247  0.7500  0.6225  1
]