data_[Nd6Dy4Er2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  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 [7.1862]
_cell_length_b [12.3441]
_cell_length_c [7.2305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4016]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3Dy2ErSe6]
_chemical_formula_sum '[Nd6 Dy4 Er2 Se12]'
_cell_volume [604.9758]
_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  0.1683  0.5000  1.0
  Nd  Nd1  2  0.0000  0.5000  0.5000  1.0
  Dy  Dy2  4  0.0000  0.3332  0.0000  1.0
  Er  Er3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2434  0.1654  0.2344  1.0
  Se  Se5  4  0.2475  0.5000  0.2357  1.0
]