data_ZrInP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   34.33
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInP2
_chemical_formula_sum   'Zr1 In1 P2'
_cell_volume   80.92
_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  Zr3  1  0.0  0.0  0.35  1.0
  In  In0  1  0.92  0.0  0.78  1.0
  P  P1  1  0.92  0.0  0.23  1.0
  P  P2  1  0.0  0.0  0.15  1.0

data_ZrInP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.85
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   107.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrInP2
_chemical_formula_sum   'Zr1 In1 P2'
_cell_volume   80.92
_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  0.65  0.0  0.65  1.0
  In  In1  1  0.22  0.92  0.22  1.0
  P  P2  1  0.77  0.92  0.77  1.0
  P  P3  1  0.85  0.0  0.85  1.0

Zr In P P