data_[Ta2Hg2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  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 [6.9543]
_cell_length_b [3.5247]
_cell_length_c [9.3833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TaHgTe2]
_chemical_formula_sum '[Ta2 Hg2 Te4]'
_cell_volume [228.8740]
_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
[
  Ta  Ta0  2  0.0275  0.7500  0.6383  1
  Hg  Hg1  2  0.1659  0.2500  0.0974  1
  Te  Te2  2  0.2799  0.7500  0.4269  1
  Te  Te3  2  0.2873  0.2500  0.7948  1
]