data_[Nd4Er2In6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3351]
_cell_length_b [12.6975]
_cell_length_c [8.1053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5399]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Er(InSe2)3]
_chemical_formula_sum '[Nd4 Er2 In6 Se12]'
_cell_volume [719.8109]
_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  0.0000  0.3335  0.0000  1.0
  Er  Er1  2  0.0000  0.0000  0.0000  1.0
  In  In2  4  0.0000  0.1688  0.5000  1.0
  In  In3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  8  0.2318  0.1614  0.2113  1.0
  Se  Se5  4  0.2487  0.5000  0.2145  1.0
]