data_Fe2AsP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   4.17
_cell_angle_alpha   127.77
_cell_angle_beta   120.76
_cell_angle_gamma   82.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2AsP
_chemical_formula_sum   'Fe2 As1 P1'
_cell_volume   47.43
_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
  Fe  Fe1  1  0.84  0.0  0.38  1.0
  Fe  Fe2  1  0.0  0.06  0.75  1.0
  As  As0  1  0.0  0.0  0.13  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Fe2AsP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   4.13
_cell_length_c   4.17
_cell_angle_alpha   119.62
_cell_angle_beta   116.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2AsP
_chemical_formula_sum   'Fe2 As1 P1'
_cell_volume   47.43
_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
  Fe  Fe0  1  0.0  0.38  0.54  1.0
  Fe  Fe1  1  0.94  0.69  0.69  1.0
  As  As2  1  0.0  0.13  0.13  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Fe Fe As P