data_[Fe7Ni5P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.3922]
_cell_length_b [6.7030]
_cell_length_c [6.7182]
_cell_angle_alpha [84.1816]
_cell_angle_beta [71.4087]
_cell_angle_gamma [71.6131]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Fe7Ni5P4]
_chemical_formula_sum '[Fe7 Ni5 P4]'
_cell_volume [177.8946]
_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  0.0109  0.6055  0.3312  1
  Fe  Fe1  1  0.1246  0.1831  0.0264  1
  Fe  Fe2  1  0.3407  0.8147  0.9685  1
  Fe  Fe3  1  0.3778  0.6683  0.6067  1
  Fe  Fe4  1  0.6972  0.9679  0.1842  1
  Fe  Fe5  1  0.8453  0.0299  0.8151  1
  Fe  Fe6  1  0.9487  0.3951  0.6698  1
  Ni  Ni7  1  0.0819  0.9540  0.3902  1
  Ni  Ni8  1  0.4213  0.0488  0.6093  1
  Ni  Ni9  1  0.5282  0.3898  0.0506  1
  Ni  Ni10  1  0.6598  0.3312  0.3944  1
  Ni  Ni11  1  0.9645  0.6094  0.9546  1
  P  P12  1  0.2276  0.2443  0.3371  1
  P  P13  1  0.4380  0.3398  0.7564  1
  P  P14  1  0.5265  0.6646  0.2467  1
  P  P15  1  0.8072  0.7538  0.6589  1
]