data_[Rb2Hg2Te6As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.0985]
_cell_length_b [4.4453]
_cell_length_c [11.1974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2866]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbHgTe3As]
_chemical_formula_sum '[Rb2 Hg2 Te6 As2]'
_cell_volume [427.4707]
_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
[
  Rb  Rb0  2  0.2405  0.7500  0.2843  1
  Hg  Hg1  2  0.0800  0.7500  0.6289  1
  Te  Te2  2  0.1129  0.7500  0.8906  1
  Te  Te3  2  0.2430  0.2500  0.5609  1
  Te  Te4  2  0.4645  0.2500  0.1356  1
  As  As5  2  0.3245  0.2500  0.8860  1
]