data_Zn2FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.63
_cell_length_b   4.83
_cell_length_c   4.34
_cell_angle_alpha   90.0
_cell_angle_beta   95.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2FeP
_chemical_formula_sum   'Zn2 Fe1 P1'
_cell_volume   54.76
_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
  Zn  Zn2  1  0.46  0.42  0.11  1.0
  Zn  Zn3  1  0.73  0.42  0.21  1.0
  Fe  Fe0  1  0.09  0.0  0.16  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_Zn2FeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   4.34
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2FeP
_chemical_formula_sum   'Zn2 Fe1 P1'
_cell_volume   54.76
_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
  Zn  Zn0  1  0.27  0.79  0.58  1.0
  Zn  Zn1  1  0.54  0.89  0.58  1.0
  Fe  Fe2  1  0.91  0.84  0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Zn Zn Fe P
Zn Zn Fe P 0 1 o o o 2 3 o o o 