data_[Cr2Fe2P4]
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 [5.2410]
_cell_length_b [3.0588]
_cell_length_c [5.8728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CrFeP2]
_chemical_formula_sum '[Cr2 Fe2 P4]'
_cell_volume [94.1480]
_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
[
  Cr  Cr0  2  0.4942  0.7500  0.8082  1
  Fe  Fe1  2  0.0050  0.2500  0.2975  1
  P  P2  2  0.1832  0.2500  0.9326  1
  P  P3  2  0.3098  0.7500  0.4367  1
]