data_[Sm4Er2Th4]
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
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.5572]
_cell_length_b [9.5572]
_cell_length_c [3.6484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Sm2ErTh2]
_chemical_formula_sum '[Sm4 Er2 Th4]'
_cell_volume [333.2436]
_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  0.1277  0.6277  0.0000  1
  Er  Er1  2  0.0000  0.0000  0.0000  1
  Th  Th2  4  0.1717  0.3283  0.5000  1
]