data_[Re4Hg2Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.2690]
_cell_length_b [4.0653]
_cell_length_c [6.9846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6105]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Re2HgTe]
_chemical_formula_sum '[Re4 Hg2 Te2]'
_cell_volume [190.5376]
_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
[
  Re  Re0  2  0.0265  0.0000  0.0885  1
  Re  Re1  2  0.2297  0.5000  0.1801  1
  Hg  Hg2  2  0.2527  0.0000  0.8177  1
  Te  Te3  2  0.4912  0.0000  0.4138  1
]