[CIF]
data_Zr2Fe3P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95262119
_cell_length_b   4.95262119
_cell_length_c   7.96781856
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Fe3P
_chemical_formula_sum   'Zr4 Fe6 P2'
_cell_volume   169.25452557
_cell_formula_units_Z   2
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  1.22055465  3.56408473  5.97586392  1
  Fe  Fe1  1  -1.22055465  3.56408473  5.97586392  1
  Fe  Fe2  1  0.00000000  1.45002207  5.97586392  1
  Fe  Fe3  1  1.25575595  0.72501103  1.99195464  1
  Fe  Fe4  1  3.69686524  0.72501103  1.99195464  1
  Fe  Fe5  1  2.47631059  2.83907369  1.99195464  1
  P  P6  1  0.00000000  0.00000000  3.98390928  1
  P  P7  1  0.00000000  0.00000000  0.00000000  1
  Zr  Zr8  1  2.47631059  1.42969859  4.49039315  1
  Zr  Zr9  1  0.00000000  2.85939717  0.50648387  1
  Zr  Zr10  1  -0.00000000  2.85939717  3.47742541  1
  Zr  Zr11  1  2.47631059  1.42969859  7.46133469  1
[/CIF]
