data_[Cr6Fe6P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7333]
_cell_length_b [3.5293]
_cell_length_c [9.8844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7250]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CrFeP]
_chemical_formula_sum '[Cr6 Fe6 P6]'
_cell_volume [199.9908]
_cell_formula_units_Z [6]
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
[
  Cr  Cr0  2  0.0232  0.7500  0.7118  1
  Cr  Cr1  2  0.3479  0.2500  0.0803  1
  Cr  Cr2  2  0.4695  0.2500  0.3850  1
  Fe  Fe3  2  0.0142  0.7500  0.0887  1
  Fe  Fe4  2  0.1438  0.7500  0.4596  1
  Fe  Fe5  2  0.3639  0.2500  0.7924  1
  P  P6  2  0.2388  0.2500  0.5829  1
  P  P7  2  0.2429  0.7500  0.9135  1
  P  P8  2  0.2683  0.7500  0.2517  1
]