data_[Zr10Sn6P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sn  1.9600  1.4500  0.8300
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [8.6276]
_cell_length_b [8.6276]
_cell_length_c [5.9555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [Zr5Sn3P]
_chemical_formula_sum '[Zr10 Sn6 P2]'
_cell_volume [383.9122]
_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
[
  Zr  Zr0  6  0.0000  0.2505  0.2500  1
  Zr  Zr1  4  0.3333  0.6667  0.5000  1
  Sn  Sn2  6  0.0000  0.3990  0.7500  1
  P  P3  2  0.0000  0.0000  0.0000  1
]