data_[Er20Te8C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Te  2.1000  1.4000  1.2933
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [17.4357]
_cell_length_b [7.5131]
_cell_length_c [6.7236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Er5(TeC)2]
_chemical_formula_sum '[Er20 Te8 C8]'
_cell_volume [880.7613]
_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
[
  Er  Er0  8  0.0209  0.2438  0.7610  1
  Er  Er1  8  0.1384  0.5605  0.5339  1
  Er  Er2  4  0.2500  0.1562  0.6283  1
  Te  Te3  8  0.1086  0.5413  0.9935  1
  C  C4  4  0.0000  0.0000  0.0017  1
  C  C5  4  0.2500  0.0814  0.9571  1
]