data_[Er16Sb4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6109]
_cell_length_b [3.9629]
_cell_length_c [9.0614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1902]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8Sb2Se]
_chemical_formula_sum '[Er16 Sb4 Se2]'
_cell_volume [628.7127]
_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  0.0133  0.0000  0.2296  1.0
  Er  Er1  4  0.0926  0.5000  0.5402  1.0
  Er  Er2  4  0.1607  0.5000  0.0283  1.0
  Er  Er3  4  0.2100  0.0000  0.3538  1.0
  Sb  Sb4  4  0.1749  0.0000  0.7768  1.0
  Se  Se5  2  0.0000  0.5000  0.0000  1.0
]