data_[Nd4Sm2Tm6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1467]
_cell_length_b [4.0455]
_cell_length_c [8.3768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0730]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Sm(TmSe2)3]
_chemical_formula_sum '[Nd4 Sm2 Tm6 Se12]'
_cell_volume [590.9192]
_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
[
  Nd  Nd0  4  0.1671  0.0000  0.3340  1.0
  Sm  Sm1  2  0.0000  0.5000  0.0000  1.0
  Tm  Tm2  4  0.1676  0.0000  0.8334  1.0
  Tm  Tm3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.0047  0.0000  0.7419  1.0
  Se  Se5  4  0.1619  0.5000  0.5948  1.0
  Se  Se6  4  0.1696  0.5000  0.0707  1.0
]