data_Zr2SnP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   37.28
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SnP
_chemical_formula_sum   'Zr2 Sn1 P1'
_cell_volume   85.94
_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  0.89  0.0  0.52  1.0
  Zr  Zr3  1  0.0  0.0  0.32  1.0
  Sn  Sn1  1  0.89  0.0  0.31  1.0
  P  P0  1  0.0  0.0  0.85  1.0

data_Zr2SnP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   3.91
_cell_length_c   6.12
_cell_angle_alpha   108.64
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SnP
_chemical_formula_sum   'Zr2 Sn1 P1'
_cell_volume   85.94
_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  0.32  0.32  1.0
  Zr  Zr1  1  0.11  0.52  0.52  1.0
  Sn  Sn2  1  0.11  0.31  0.31  1.0
  P  P3  1  0.0  0.85  0.85  1.0

Zr Zr Sn P
Zr Zr Sn P 0 1 + o o 0 2 o o o 0 3 + o o 1 2 - o o 