data_ZrAsP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   139.12
_cell_angle_beta   139.12
_cell_angle_gamma   59.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAsP2
_chemical_formula_sum   'Zr1 As1 P2'
_cell_volume   69.02
_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  0.91  0.0  0.37  1.0
  As  As0  1  0.0  0.0  0.75  1.0
  P  P1  1  0.0  0.91  0.37  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_ZrAsP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   5.46
_cell_angle_alpha   110.44
_cell_angle_beta   110.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAsP2
_chemical_formula_sum   'Zr1 As1 P2'
_cell_volume   69.02
_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  0.63  0.0  0.53  1.0
  As  As1  1  0.25  0.0  0.25  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.53  0.91  0.53  1.0

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