data_[Ba2Tc2Hg2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tc  1.9000  1.3500  0.7417
  Hg  2.0000  1.5000  1.2450
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.2230]
_cell_length_b [4.2230]
_cell_length_c [11.7608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [BaTcHgP]
_chemical_formula_sum '[Ba2 Tc2 Hg2 P2]'
_cell_volume [209.7391]
_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
[
  Ba  Ba0  2  0.0000  0.5000  0.2368  1
  Tc  Tc1  2  0.0000  0.0000  0.0000  1
  Hg  Hg2  2  0.0000  0.0000  0.5000  1
  P  P3  2  0.0000  0.5000  0.9070  1
]