data_[Sr2Zn1In1Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9353]
_cell_length_b [7.0292]
_cell_length_c [7.6165]
_cell_angle_alpha [91.2325]
_cell_angle_beta [112.1707]
_cell_angle_gamma [106.1188]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr2ZnInHg6]
_chemical_formula_sum '[Sr2 Zn1 In1 Hg6]'
_cell_volume [279.8380]
_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
[
  Sr  Sr0  2  0.2699  0.7628  0.7410  1
  Zn  Zn1  1  0.5000  0.5000  0.5000  1
  In  In2  1  0.0000  0.0000  0.0000  1
  Hg  Hg3  2  0.1617  0.6249  0.2018  1
  Hg  Hg4  2  0.2601  0.0877  0.4269  1
  Hg  Hg5  2  0.3266  0.2893  0.8275  1
]