data_[Sm1Dy2Th1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Dy  1.2200  1.7500  1.1310
  Th  1.3000  1.8000  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1305]
_cell_length_b [4.0844]
_cell_length_c [7.2446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SmDy2ThSe4]
_chemical_formula_sum '[Sm1 Dy2 Th1 Se4]'
_cell_volume [199.5502]
_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  0.5000  0.5000  0.0000  1
  Dy  Dy1  1  0.0000  0.5000  0.5000  1
  Dy  Dy2  1  0.5000  0.0000  0.5000  1
  Th  Th3  1  0.0000  0.0000  0.0000  1
  Se  Se4  2  0.2482  0.0000  0.7391  1
  Se  Se5  2  0.2565  0.5000  0.2629  1
]