data_[Li2Tb1Nd1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9423]
_cell_length_b [4.1487]
_cell_length_c [7.1863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1359]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2TbNdSe4]
_chemical_formula_sum '[Li2 Tb1 Nd1 Se4]'
_cell_volume [194.3256]
_cell_formula_units_Z [1]
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
[
  Li  Li0  1  0.5000  0.0000  0.5000  1.0
  Li  Li1  1  0.5000  0.5000  0.0000  1.0
  Tb  Tb2  1  0.0000  0.5000  0.5000  1.0
  Nd  Nd3  1  0.0000  0.0000  0.0000  1.0
  Se  Se4  2  0.2553  0.0000  0.7453  1.0
  Se  Se5  2  0.2584  0.5000  0.2591  1.0
]