data_[Sm2Dy6Th4P12]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7277]
_cell_length_b [4.0803]
_cell_length_c [8.1248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0536]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmDy3(ThP3)2]
_chemical_formula_sum '[Sm2 Dy6 Th4 P12]'
_cell_volume [572.5142]
_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  0.0000  0.5000  0.0000  1
  Dy  Dy1  4  0.1657  0.0000  0.8340  1
  Dy  Dy2  2  0.0000  0.5000  0.5000  1
  Th  Th3  4  0.1652  0.0000  0.3306  1
  P  P4  4  0.0014  0.0000  0.7462  1
  P  P5  4  0.1655  0.5000  0.5868  1
  P  P6  4  0.1682  0.5000  0.0795  1
]