data_Zr2SbP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   135.63
_cell_angle_beta   117.17
_cell_angle_gamma   80.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SbP
_chemical_formula_sum   'Zr2 Sb1 P1'
_cell_volume   83.04
_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  Zr2  1  0.95  0.0  0.68  1.0
  Zr  Zr3  1  0.0  0.69  0.27  1.0
  Sb  Sb1  1  0.0  0.0  0.95  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_Zr2SbP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   62.83
_cell_angle_beta   67.82
_cell_angle_gamma   67.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SbP
_chemical_formula_sum   'Zr2 Sb1 P1'
_cell_volume   83.04
_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  0.0  0.05  0.68  1.0
  Zr  Zr1  1  0.69  0.0  0.58  1.0
  Sb  Sb2  1  0.0  0.0  0.95  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Zr Zr Sb P