data_[Y16Hg4Te4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.8092]
_cell_length_b [15.5823]
_cell_length_c [6.8007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Y4HgTeC]
_chemical_formula_sum '[Y16 Hg4 Te4 C4]'
_cell_volume [721.5768]
_cell_formula_units_Z [4]
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  8  0.2500  0.2500  0.0000  1.0
  Y  Y1  4  0.0000  0.0834  0.2500  1.0
  Y  Y2  4  0.0000  0.4072  0.2500  1.0
  Hg  Hg3  4  0.0000  0.1146  0.7500  1.0
  Te  Te4  4  0.0000  0.3908  0.7500  1.0
  C  C5  4  0.0000  0.2490  0.2500  1.0
]