data_[Sm1Ho2Er1Th1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.5298]
_cell_length_b [5.6060]
_cell_length_c [8.6497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [SmHo2ErTh]
_chemical_formula_sum '[Sm1 Ho2 Er1 Th1]'
_cell_volume [171.1631]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Ho  Ho1  2  0.0000  0.5000  0.3214  1
  Er  Er2  1  0.5000  0.0000  0.5000  1
  Th  Th3  1  0.5000  0.5000  0.0000  1
]