data_[U2Mn4Hg6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Mn  1.5500  1.4000  0.6483
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7247]
_cell_length_b [11.6851]
_cell_length_c [10.1819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4184]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [UMn2(HgTe2)3]
_chemical_formula_sum '[U2 Mn4 Hg6 Te12]'
_cell_volume [778.2457]
_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
[
  U  U0  2  0.0000  0.0000  0.0000  1
  Mn  Mn1  4  0.0000  0.3331  0.0000  1
  Hg  Hg2  4  0.0000  0.1485  0.5000  1
  Hg  Hg3  2  0.0000  0.5000  0.5000  1
  Te  Te4  8  0.2395  0.1794  0.1730  1
  Te  Te5  4  0.2010  0.5000  0.1723  1
]