data_[Cs1Rb1Cu1Hg1Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.7022]
_cell_length_b [4.7022]
_cell_length_c [11.6974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [CsRbCuHgSb2]
_chemical_formula_sum '[Cs1 Rb1 Cu1 Hg1 Sb2]'
_cell_volume [223.9896]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  1  0.0000  0.0000  0.0134  1
  Rb  Rb1  1  0.0000  0.0000  0.4869  1
  Cu  Cu2  1  0.3333  0.6667  0.2590  1
  Hg  Hg3  1  0.6667  0.3333  0.7377  1
  Sb  Sb4  1  0.3333  0.6667  0.7442  1
  Sb  Sb5  1  0.6667  0.3333  0.2587  1
]