data_[Li2Mn2Hg6Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9073]
_cell_length_b [8.5839]
_cell_length_c [8.3221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9334]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiMnHg3Te4]
_chemical_formula_sum '[Li2 Mn2 Hg6 Te8]'
_cell_volume [561.8441]
_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
[
  Li  Li0  2  0.1709  0.2500  0.4075  1
  Mn  Mn1  2  0.1616  0.2500  0.7553  1
  Hg  Hg2  4  0.2618  0.5462  0.9839  1
  Hg  Hg3  2  0.4337  0.7500  0.2081  1
  Te  Te4  4  0.3328  0.0085  0.6467  1
  Te  Te5  2  0.0930  0.2500  0.0692  1
  Te  Te6  2  0.1261  0.7500  0.4259  1
]