data_[Ca4Co4P4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Co  1.8800  1.3500  0.7683
  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 [10.8167]
_cell_length_b [3.7194]
_cell_length_c [6.6462]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Co2P2N]
_chemical_formula_sum '[Ca4 Co4 P4 N2]'
_cell_volume [219.5035]
_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  0.0585  0.5000  0.2988  1.0
  Co  Co1  4  0.1884  0.0000  0.0722  1.0
  P  P2  4  0.1840  0.0000  0.7323  1.0
  N  N3  2  0.0000  0.0000  0.0000  1.0
]