data_[Nd2Er4In6Se12]
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 [7.2341]
_cell_length_b [12.5226]
_cell_length_c [8.1066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2863]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdEr2(InSe2)3]
_chemical_formula_sum '[Nd2 Er4 In6 Se12]'
_cell_volume [701.2052]
_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  2  0.0000  0.0000  0.0000  1.0
  Er  Er1  4  0.0000  0.3333  0.0000  1.0
  In  In2  4  0.0000  0.1648  0.5000  1.0
  In  In3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  8  0.2420  0.1721  0.2100  1.0
  Se  Se5  4  0.2251  0.5000  0.2073  1.0
]