data_[Y8Te6N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [10.0551]
_cell_length_b [8.0022]
_cell_length_c [5.9811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Y4Te3N]
_chemical_formula_sum '[Y8 Te6 N2]'
_cell_volume [481.2616]
_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
[
  Y  Y0  4  0.2038  0.2355  0.0633  1
  Y  Y1  2  0.0000  0.1273  0.6059  1
  Y  Y2  2  0.0000  0.8609  0.0800  1
  Te  Te3  4  0.2381  0.3564  0.5650  1
  Te  Te4  2  0.0000  0.7489  0.5818  1
  N  N5  2  0.0000  0.1368  0.9909  1
]