data_[La1Nd1Bi2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.3670]
_cell_length_b [4.3670]
_cell_length_c [9.2705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [LaNd(BiSe)2]
_chemical_formula_sum '[La1 Nd1 Bi2 Se2]'
_cell_volume [176.7907]
_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
[
  La  La0  1  0.5000  0.5000  0.3053  1
  Nd  Nd1  1  0.0000  0.0000  0.6956  1
  Bi  Bi2  2  0.0000  0.5000  0.9991  1
  Se  Se3  1  0.0000  0.0000  0.3699  1
  Se  Se4  1  0.5000  0.5000  0.6309  1
]