data_[Nd8Y4Zn4Se20]
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
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0299]
_cell_length_b [17.8013]
_cell_length_c [12.4859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2YZnSe5]
_chemical_formula_sum '[Nd8 Y4 Zn4 Se20]'
_cell_volume [895.7000]
_cell_formula_units_Z [4]
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  0.1153  0.6838  1.0
  Nd  Nd1  4  0.0000  0.1305  0.3183  1.0
  Y  Y2  4  0.0000  0.1969  0.0160  1.0
  Zn  Zn3  4  0.0000  0.4492  0.4458  1.0
  Se  Se4  4  0.0000  0.0398  0.0552  1.0
  Se  Se5  4  0.0000  0.2899  0.6771  1.0
  Se  Se6  4  0.0000  0.3151  0.3524  1.0
  Se  Se7  4  0.0000  0.3562  0.0039  1.0
  Se  Se8  4  0.0000  0.4944  0.7715  1.0
]