data_[Ca4Zn2P2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6417]
_cell_length_b [3.7857]
_cell_length_c [7.9487]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3048]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca2ZnPN]
_chemical_formula_sum '[Ca4 Zn2 P2 N2]'
_cell_volume [190.8124]
_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  2  0.1724  0.2500  0.3756  1.0
  Ca  Ca1  2  0.1926  0.2500  0.9648  1.0
  Zn  Zn2  2  0.4741  0.7500  0.2551  1.0
  P  P3  2  0.3065  0.7500  0.6960  1.0
  N  N4  2  0.1693  0.7500  0.1730  1.0
]