data_[Er14Zn4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.9759]
_cell_length_b [14.8437]
_cell_length_c [9.3465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Er7(ZnSe)2]
_chemical_formula_sum '[Er14 Zn4 Se4]'
_cell_volume [551.5983]
_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
[
  Er  Er0  4  0.0000  0.1207  0.7365  1
  Er  Er1  4  0.0000  0.3174  0.9458  1
  Er  Er2  4  0.0000  0.3664  0.5740  1
  Er  Er3  2  0.0000  0.0000  0.3329  1
  Zn  Zn4  4  0.0000  0.2360  0.2432  1
  Se  Se5  2  0.0000  0.0000  0.9852  1
  Se  Se6  2  0.0000  0.5000  0.0882  1
]