data_[Hg8Te5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.9904]
_cell_length_b [9.8623]
_cell_length_c [20.6943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [101.7369]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Hg8Te5]
_chemical_formula_sum '[Hg8 Te5]'
_cell_volume [1396.8628]
_cell_formula_units_Z [1]
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
[
  Hg  Hg0  1  0.0587  0.4533  0.6135  1
  Hg  Hg1  1  0.1197  0.5567  0.4207  1
  Hg  Hg2  1  0.1734  0.0514  0.6148  1
  Hg  Hg3  1  0.2106  0.1520  0.4476  1
  Hg  Hg4  1  0.2780  0.8052  0.5310  1
  Hg  Hg5  1  0.6067  0.5047  0.5192  1
  Hg  Hg6  1  0.8208  0.3022  0.3474  1
  Hg  Hg7  1  0.8355  0.1270  0.4886  1
  Te  Te8  1  0.4016  0.6337  0.6225  1
  Te  Te9  1  0.4118  0.4231  0.3970  1
  Te  Te10  1  0.4782  0.9734  0.4343  1
  Te  Te11  1  0.7090  0.2877  0.5975  1
  Te  Te12  1  0.8960  0.7297  0.4659  1
]