data_[La3Dy36Tm21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Dy  1.2200  1.7500  1.1310
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.9351]
_cell_length_b [11.9351]
_cell_length_c [15.8325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [LaDy12Tm7]
_chemical_formula_sum '[La3 Dy36 Tm21]'
_cell_volume [1953.1463]
_cell_formula_units_Z [3]
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
[
  La  La0  3  0.0000  0.0000  0.0000  1
  Dy  Dy1  18  0.0204  0.4503  0.2182  1
  Dy  Dy2  18  0.0512  0.1896  0.2939  1
  Tm  Tm3  18  0.0445  0.5865  0.5840  1
  Tm  Tm4  3  -0.0000  0.0000  0.5000  1
]