data_[Y6Te2C2N2]
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
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3235]
_cell_length_b [3.8778]
_cell_length_c [10.0922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5776]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y3TeCN]
_chemical_formula_sum '[Y6 Te2 C2 N2]'
_cell_volume [268.3186]
_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  2  0.0739  0.7500  0.8231  1
  Y  Y1  2  0.2017  0.2500  0.5629  1
  Y  Y2  2  0.4753  0.2500  0.1295  1
  Te  Te3  2  0.3062  0.7500  0.3066  1
  C  C4  2  0.3037  0.2500  0.8872  1
  N  N5  2  0.0961  0.7500  0.6166  1
]