data_[Sn6As2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.7674]
_cell_length_b [7.4136]
_cell_length_c [12.0364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Sn3AsP]
_chemical_formula_sum '[Sn6 As2 P2]'
_cell_volume [336.1808]
_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  4  0.5000  0.2058  0.5831  1
  Sn  Sn1  2  0.0000  0.0000  0.7877  1
  As  As2  2  0.5000  0.0000  0.9456  1
  P  P3  2  0.0000  0.0000  0.4724  1
]