data_[K2Mn2Hg2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [8.0415]
_cell_length_b [4.1305]
_cell_length_c [12.9852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5149]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KMnHgTe3]
_chemical_formula_sum '[K2 Mn2 Hg2 Te6]'
_cell_volume [411.3138]
_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
[
  K  K0  2  0.2851  0.2500  0.3045  1.0
  Mn  Mn1  2  0.3440  0.7500  0.8913  1.0
  Hg  Hg2  2  0.1037  0.2500  0.6245  1.0
  Te  Te3  2  0.1044  0.2500  0.8416  1.0
  Te  Te4  2  0.2638  0.7500  0.5331  1.0
  Te  Te5  2  0.4304  0.7500  0.1166  1.0
]