data_[Mn4Hg2W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Hg  2.0000  1.5000  1.2450
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.8509]
_cell_length_b [2.7954]
_cell_length_c [5.2302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8705]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2HgW]
_chemical_formula_sum '[Mn4 Hg2 W2]'
_cell_volume [128.4734]
_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
[
  Mn  Mn0  4  0.2492  0.5000  0.7206  1
  Hg  Hg1  2  0.0000  0.5000  0.0000  1
  W  W2  2  0.0000  0.0000  0.5000  1
]