data_[Nd4Y6Er2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0503]
_cell_length_b [4.1074]
_cell_length_c [8.3126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6217]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Y3ErSe6]
_chemical_formula_sum '[Nd4 Y6 Er2 Se12]'
_cell_volume [598.9583]
_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  0.1694  0.0000  0.3375  1.0
  Y  Y1  4  0.1713  0.0000  0.8335  1.0
  Y  Y2  2  0.0000  0.5000  0.5000  1.0
  Er  Er3  2  0.0000  0.5000  0.0000  1.0
  Se  Se4  4  0.0037  0.0000  0.7560  1.0
  Se  Se5  4  0.1623  0.5000  0.5905  1.0
  Se  Se6  4  0.1631  0.5000  0.0727  1.0
]