data_[Nd1Er1In2Se4]
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 [P2/m]
_cell_length_a [7.2858]
_cell_length_b [4.2021]
_cell_length_c [8.1020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3825]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NdEr(InSe2)2]
_chemical_formula_sum '[Nd1 Er1 In2 Se4]'
_cell_volume [236.7188]
_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
[
  Nd  Nd0  1  0.5000  0.5000  0.0000  1.0
  Er  Er1  1  0.0000  0.0000  0.0000  1.0
  In  In2  1  0.0000  0.5000  0.5000  1.0
  In  In3  1  0.5000  0.0000  0.5000  1.0
  Se  Se4  2  0.2266  0.5000  0.2084  1.0
  Se  Se5  2  0.2526  0.0000  0.7866  1.0
]