data_KFe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   3.85
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   96.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KFe2P
_chemical_formula_sum   'K1 Fe2 P1'
_cell_volume   71.96
_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
  K  K2  1  0.1  0.92  0.47  1.0
  Fe  Fe0  1  0.44  0.92  0.2  1.0
  Fe  Fe1  1  0.84  0.0  0.68  1.0
  P  P3  1  0.72  0.0  0.68  1.0

data_KFe2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   3.85
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   96.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KFe2P
_chemical_formula_sum   'K1 Fe2 P1'
_cell_volume   71.96
_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
  K  K0  1  0.1  0.92  0.47  1.0
  Fe  Fe1  1  0.44  0.92  0.2  1.0
  Fe  Fe2  1  0.84  0.0  0.68  1.0
  P  P3  1  0.72  0.0  0.68  1.0

K Fe Fe P