data_[Nd8Te6C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.5478]
_cell_length_b [9.3738]
_cell_length_c [6.2303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Nd4Te3C]
_chemical_formula_sum '[Nd8 Te6 C2]'
_cell_volume [557.6132]
_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
[
  Nd  Nd0  4  0.2145  0.3112  0.0700  1
  Nd  Nd1  2  0.0000  0.1866  0.6013  1
  Nd  Nd2  2  0.0000  0.9318  0.0622  1
  Te  Te3  4  0.2145  0.6539  0.0737  1
  Te  Te4  2  0.0000  0.8633  0.5671  1
  C  C5  2  0.0000  0.1876  0.9972  1
]