data_[Er10Te10C2]
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/m]
_cell_length_a [13.2691]
_cell_length_b [5.9642]
_cell_length_c [8.3462]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2898]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er5Te5C]
_chemical_formula_sum '[Er10 Te10 C2]'
_cell_volume [623.4286]
_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  0.1389  0.0000  0.2829  1
  Er  Er1  4  0.1427  0.0000  0.8621  1
  Er  Er2  2  0.0000  0.5000  0.0000  1
  Te  Te3  4  0.1595  0.5000  0.8134  1
  Te  Te4  4  0.1803  0.5000  0.3340  1
  Te  Te5  2  0.0000  0.0000  0.5000  1
  C  C6  2  0.0000  0.0000  0.0000  1
]