data_[Ta2Hg2Mo4]
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
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.2831]
_cell_length_b [4.6218]
_cell_length_c [9.3053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [TaHgMo2]
_chemical_formula_sum '[Ta2 Hg2 Mo4]'
_cell_volume [141.1990]
_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  0.0000  0.0000  0.5178  1
  Hg  Hg1  2  0.0000  0.5000  0.2468  1
  Mo  Mo2  2  0.0000  0.0000  0.9809  1
  Mo  Mo3  2  0.0000  0.5000  0.7545  1
]