data_[Be4Hg4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.3130]
_cell_length_b [4.2988]
_cell_length_c [7.6419]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7293]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeHgTe2]
_chemical_formula_sum '[Be4 Hg4 Te8]'
_cell_volume [464.7548]
_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
[
  Be  Be0  2  0.1953  0.5000  0.7591  1.0
  Be  Be1  2  0.4360  0.0000  0.9856  1.0
  Hg  Hg2  2  0.1869  0.0000  0.2406  1.0
  Hg  Hg3  2  0.4471  0.5000  0.5147  1.0
  Te  Te4  2  0.1100  0.5000  0.0169  1.0
  Te  Te5  2  0.1489  0.0000  0.5969  1.0
  Te  Te6  2  0.3702  0.5000  0.8385  1.0
  Te  Te7  2  0.3878  0.0000  0.2788  1.0
]