data_[Sn6Hg2As2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2832]
_cell_length_b [3.9565]
_cell_length_c [11.4072]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0007]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sn3HgAsP]
_chemical_formula_sum '[Sn6 Hg2 As2 P2]'
_cell_volume [320.2838]
_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
[
  Sn  Sn0  2  0.0377  0.7500  0.1628  1.0
  Sn  Sn1  2  0.2330  0.7500  0.5183  1.0
  Sn  Sn2  2  0.4272  0.2500  0.8358  1.0
  Hg  Hg3  2  0.3552  0.2500  0.3153  1.0
  As  As4  2  0.2355  0.7500  0.9493  1.0
  P  P5  2  0.1158  0.2500  0.6367  1.0
]