data_[La2Sm6Y4Tm12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1727]
_cell_length_b [10.6859]
_cell_length_c [11.7450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0506]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaSm3(YTm3)2]
_chemical_formula_sum '[La2 Sm6 Y4 Tm12]'
_cell_volume [762.8213]
_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
[
  La  La0  2  0.0000  0.0000  0.0000  1
  Sm  Sm1  4  0.0000  0.1670  0.5000  1
  Sm  Sm2  2  0.0000  0.5000  0.5000  1
  Y  Y3  4  0.0000  0.3333  0.0000  1
  Tm  Tm4  8  0.2491  0.3330  0.7488  1
  Tm  Tm5  4  0.2498  0.5000  0.2512  1
]