data_[Er24Te8C8]
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 [C2/c]
_cell_length_a [12.4702]
_cell_length_b [13.3599]
_cell_length_c [6.2201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Er3TeC]
_chemical_formula_sum '[Er24 Te8 C8]'
_cell_volume [995.2089]
_cell_formula_units_Z [8]
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  0.0788  0.3405  0.5364  1
  Er  Er1  8  0.0962  0.0995  0.5559  1
  Er  Er2  8  0.1438  0.2031  0.0852  1
  Te  Te3  8  0.1681  0.4281  0.0546  1
  C  C4  4  0.0000  0.2153  0.2500  1
  C  C5  4  0.0000  0.2159  0.7500  1
]