data_[Sr4In1Hg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.2882]
_cell_length_b [5.1730]
_cell_length_c [12.4260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sr4InHg3]
_chemical_formula_sum '[Sr4 In1 Hg3]'
_cell_volume [275.6404]
_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  1  0.0000  0.0000  0.1443  1
  Sr  Sr1  1  0.0000  0.5000  0.8545  1
  Sr  Sr2  1  0.5000  0.0000  0.6408  1
  Sr  Sr3  1  0.5000  0.5000  0.3609  1
  In  In4  1  0.5000  0.5000  0.0750  1
  Hg  Hg5  1  0.0000  0.0000  0.4211  1
  Hg  Hg6  1  0.0000  0.5000  0.5801  1
  Hg  Hg7  1  0.5000  0.0000  0.9234  1
]