data_[Ca12As2P4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8743]
_cell_length_b [7.3301]
_cell_length_c [12.0498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6774]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca6AsP2N]
_chemical_formula_sum '[Ca12 As2 P4 N2]'
_cell_volume [499.3324]
_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  0.1005  0.5634  0.2299  1.0
  Ca  Ca1  4  0.2427  0.2110  0.0731  1.0
  Ca  Ca2  4  0.3492  0.6728  0.0593  1.0
  As  As3  2  0.5000  0.0000  0.0000  1.0
  P  P4  4  0.2768  0.5718  0.7540  1.0
  N  N5  2  0.0000  0.0000  0.5000  1.0
]