data_[Mg2Ta4Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ta  1.5000  1.4500  0.8200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.5333]
_cell_length_b [4.6911]
_cell_length_c [9.3985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [MgTa2Hg]
_chemical_formula_sum '[Mg2 Ta4 Hg2]'
_cell_volume [155.7810]
_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
[
  Mg  Mg0  2  0.0000  0.5000  0.7522  1
  Ta  Ta1  2  0.0000  0.0000  0.0091  1
  Ta  Ta2  2  0.0000  0.5000  0.2398  1
  Hg  Hg3  2  0.0000  0.0000  0.4989  1
]