data_ZnIn2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   3.91
_cell_angle_alpha   99.96
_cell_angle_beta   99.96
_cell_angle_gamma   102.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIn2P
_chemical_formula_sum   'Zn1 In2 P1'
_cell_volume   86.5
_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  Zn3  1  0.03  0.0  0.0  1.0
  In  In0  1  0.97  0.9  0.88  1.0
  In  In1  1  0.97  0.1  0.88  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_ZnIn2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   102.85
_cell_angle_beta   99.96
_cell_angle_gamma   99.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIn2P
_chemical_formula_sum   'Zn1 In2 P1'
_cell_volume   86.5
_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  Zn0  1  0.0  0.03  0.0  1.0
  In  In1  1  0.88  0.97  0.1  1.0
  In  In2  1  0.88  0.97  0.9  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Zn In In P
Zn In In P 0 3 o o o 0 1 - - - 0 2 - o - 1 3 + + + 2 3 + o + 