data_[Nb8Te10C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [16.8468]
_cell_length_b [3.5634]
_cell_length_c [7.8168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1159]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nb4Te5C]
_chemical_formula_sum '[Nb8 Te10 C2]'
_cell_volume [457.0136]
_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
[
  Nb  Nb0  4  0.0036  0.0000  0.8180  1
  Nb  Nb1  4  0.1305  0.5000  0.0685  1
  Te  Te2  4  0.1600  0.0000  0.3511  1
  Te  Te3  4  0.1734  0.0000  0.8251  1
  Te  Te4  2  0.0000  0.5000  0.5000  1
  C  C5  2  0.0000  0.5000  0.0000  1
]