data_[Nd3Y6Tm3Se18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.2596]
_cell_length_b [7.2596]
_cell_length_c [19.5184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NdY2TmSe6]
_chemical_formula_sum '[Nd3 Y6 Tm3 Se18]'
_cell_volume [890.8380]
_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
[
  Nd  Nd0  3  0.0000  0.0000  0.8139  1.0
  Y  Y1  3  0.0000  0.0000  0.0123  1.0
  Y  Y2  3  0.0000  0.0000  0.5159  1.0
  Tm  Tm3  3  0.0000  0.0000  0.3192  1.0
  Se  Se4  9  0.0031  0.3113  0.9175  1.0
  Se  Se5  9  0.0428  0.6810  0.0827  1.0
]