data_[Si4Sn4P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0870]
_cell_length_b [3.4405]
_cell_length_c [12.8960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5758]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SiSnP]
_chemical_formula_sum '[Si4 Sn4 P4]'
_cell_volume [263.5916]
_cell_formula_units_Z [4]
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
[
  Si  Si0  4  0.2281  0.0000  0.5773  1.0
  Sn  Sn1  4  0.1873  0.5000  0.8784  1.0
  P  P2  4  0.0974  0.5000  0.6659  1.0
]