data_[Sr3Sn2Hg7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.9949]
_cell_length_b [4.8455]
_cell_length_c [15.2890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0587]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sr3Sn2Hg7]
_chemical_formula_sum '[Sr3 Sn2 Hg7]'
_cell_volume [365.4230]
_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  0.1764  0.0000  0.3485  1.0
  Sr  Sr1  1  0.5000  0.5000  0.0000  1.0
  Sn  Sn2  2  0.3617  0.5000  0.7323  1.0
  Hg  Hg3  2  0.0807  0.5000  0.1524  1.0
  Hg  Hg4  2  0.2703  0.5000  0.5438  1.0
  Hg  Hg5  2  0.4274  0.0000  0.8488  1.0
  Hg  Hg6  1  0.0000  0.0000  0.0000  1.0
]