data_[Ca4Fe4P4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Fe  1.8300  1.4000  0.8525
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6310]
_cell_length_b [3.7001]
_cell_length_c [6.6414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Fe2P2N]
_chemical_formula_sum '[Ca4 Fe4 P4 N2]'
_cell_volume [216.0640]
_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
[
  Ca  Ca0  4  0.0587  0.5000  0.3049  1.0
  Fe  Fe1  4  0.1870  0.0000  0.0704  1.0
  P  P2  4  0.1860  0.0000  0.7345  1.0
  N  N3  2  0.0000  0.0000  0.0000  1.0
]