data_[Y2Hg2Te4]
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
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.1607]
_cell_length_b [4.3494]
_cell_length_c [10.9865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4255]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [YHgTe2]
_chemical_formula_sum '[Y2 Hg2 Te4]'
_cell_volume [285.1050]
_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  1  0.2924  0.0000  0.7650  1.0
  Y  Y1  1  0.8835  0.5000  0.9851  1.0
  Hg  Hg2  1  0.4327  0.0000  0.4721  1.0
  Hg  Hg3  1  0.7337  0.0000  0.3330  1.0
  Te  Te4  1  0.0322  0.0000  0.1846  1.0
  Te  Te5  1  0.1673  0.5000  0.5541  1.0
  Te  Te6  1  0.3823  0.5000  0.9724  1.0
  Te  Te7  1  0.7975  0.0000  0.7752  1.0
]