data_[Zr1Ti3Sb2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.6892]
_cell_length_b [3.6892]
_cell_length_c [12.8006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [ZrTi3(SbP)2]
_chemical_formula_sum '[Zr1 Ti3 Sb2 P2]'
_cell_volume [150.8800]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.8983  1
  Ti  Ti1  1  0.3333  0.6667  0.5935  1
  Ti  Ti2  1  0.6667  0.3333  0.1079  1
  Ti  Ti3  1  0.6667  0.3333  0.3996  1
  Sb  Sb4  1  0.3333  0.6667  0.2539  1
  Sb  Sb5  1  0.6667  0.3333  0.7373  1
  P  P6  1  0.0000  0.0000  0.0128  1
  P  P7  1  0.0000  0.0000  0.4966  1
]