data_[Sr12Sn4P12]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.4867]
_cell_length_b [4.6806]
_cell_length_c [13.6247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Sr3SnP3]
_chemical_formula_sum '[Sr12 Sn4 P12]'
_cell_volume [796.2898]
_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
[
  Sr  Sr0  4  0.0653  0.2500  0.6063  1
  Sr  Sr1  4  0.1471  0.7500  0.9969  1
  Sr  Sr2  4  0.2234  0.7500  0.2896  1
  Sn  Sn3  4  0.0494  0.2500  0.1952  1
  P  P4  4  0.0366  0.2500  0.8461  1
  P  P5  4  0.1028  0.2500  0.3842  1
  P  P6  4  0.2445  0.2500  0.1208  1
]