data_[Mn2Co2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.0850]
_cell_length_b [3.1046]
_cell_length_c [4.6723]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0061]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnCoHg2]
_chemical_formula_sum '[Mn2 Co2 Hg4]'
_cell_volume [137.4618]
_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  2  0.0327  0.5000  0.5100  1
  Co  Co1  2  0.2271  0.0000  0.7526  1
  Hg  Hg2  2  0.2620  0.5000  0.2794  1
  Hg  Hg3  2  0.4782  0.5000  0.9580  1
]