data_[Nd6Y2Er4Se12]
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 [7.1777]
_cell_length_b [12.3284]
_cell_length_c [7.2238]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1911]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3Y(ErSe3)2]
_chemical_formula_sum '[Nd6 Y2 Er4 Se12]'
_cell_volume [603.7125]
_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  0.1646  0.5000  1.0
  Nd  Nd1  2  0.0000  0.5000  0.5000  1.0
  Y  Y2  2  0.0000  0.0000  0.0000  1.0
  Er  Er3  4  0.0000  0.3335  0.0000  1.0
  Se  Se4  8  0.2462  0.1682  0.2346  1.0
  Se  Se5  4  0.2409  0.5000  0.2329  1.0
]