data_ZrFeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   39.73
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFeP2
_chemical_formula_sum   'Zr1 Fe1 P2'
_cell_volume   67.54
_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  0.02  0.0  0.21  1.0
  Fe  Fe0  1  0.0  0.0  0.74  1.0
  P  P1  1  0.02  0.0  0.04  1.0
  P  P2  1  0.0  0.0  0.24  1.0

data_ZrFeP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.04
_cell_length_c   5.12
_cell_angle_alpha   90.0
_cell_angle_beta   109.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrFeP2
_chemical_formula_sum   'Zr1 Fe1 P2'
_cell_volume   67.54
_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  0.79  0.02  0.79  1.0
  Fe  Fe1  1  0.26  0.0  0.26  1.0
  P  P2  1  0.76  0.0  0.76  1.0
  P  P3  1  0.96  0.02  0.96  1.0

Zr Fe P P