data_Zn2SnP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71
_cell_length_b   6.71
_cell_length_c   6.71
_cell_angle_alpha   32.91
_cell_angle_beta   32.91
_cell_angle_gamma   32.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2SnP
_chemical_formula_sum   'Zn2 Sn1 P1'
_cell_volume   79.26
_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
  Zn  Zn2  1  0.0  0.0  0.87  1.0
  Zn  Zn3  1  0.0  0.0  0.15  1.0
  Sn  Sn1  1  0.0  0.0  0.51  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_Zn2SnP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.58
_cell_length_b   3.8
_cell_length_c   6.71
_cell_angle_alpha   90.0
_cell_angle_beta   109.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2SnP
_chemical_formula_sum   'Zn4 Sn2 P2'
_cell_volume   158.52
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zn  Zn0  2  0.0  0.0  0.13  1.0
  Zn  Zn1  2  0.0  0.0  0.85  1.0
  Sn  Sn2  2  0.0  0.0  0.49  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Zn Zn Sn P
Zn Zn Sn P 0 3 o o + 0 2 o o o 1 3 o o o 1 2 o o o 