data_[Ba2Mn2Hg2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mn  1.5500  1.4000  0.6483
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5475]
_cell_length_b [7.0933]
_cell_length_c [10.6813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaMnHgCl4]
_chemical_formula_sum '[Ba2 Mn2 Hg2 Cl8]'
_cell_volume [536.7845]
_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  0.3025  0.7500  0.5548  1.0
  Mn  Mn1  2  0.1257  0.2500  0.3006  1.0
  Hg  Hg2  2  0.1024  0.2500  0.9872  1.0
  Cl  Cl3  4  0.3357  0.5051  0.3156  1.0
  Cl  Cl4  2  0.1400  0.2500  0.5344  1.0
  Cl  Cl5  2  0.1975  0.7500  0.8074  1.0
]