data_[Er16Cd2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cd  1.6900  1.5500  1.0900
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9701]
_cell_length_b [6.5316]
_cell_length_c [6.1810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8728]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8CdTe2]
_chemical_formula_sum '[Er16 Cd2 Te4]'
_cell_volume [644.3990]
_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  8  0.0960  0.2556  0.3550  1
  Er  Er1  4  0.0819  0.5000  0.8747  1
  Er  Er2  4  0.2054  0.0000  0.8805  1
  Cd  Cd3  2  0.0000  0.0000  0.0000  1
  Te  Te4  4  0.2390  0.5000  0.6260  1
]