data_[Er1Nb3Te2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Nb  1.6000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.4967]
_cell_length_b [3.4967]
_cell_length_c [13.1670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [ErNb3(TeC)2]
_chemical_formula_sum '[Er1 Nb3 Te2 C2]'
_cell_volume [139.4250]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0865  1
  Nb  Nb1  1  0.0000  0.0000  0.4250  1
  Nb  Nb2  1  0.3333  0.6667  0.5814  1
  Nb  Nb3  1  0.3333  0.6667  0.9055  1
  Te  Te4  1  0.0000  0.0000  0.7455  1
  Te  Te5  1  0.3333  0.6667  0.2678  1
  C  C6  1  0.6667  0.3333  0.5051  1
  C  C7  1  0.6667  0.3333  0.9831  1
]