data_[Ca4Zn2As2N2]
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
  As  2.1800  1.1500  0.6600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7468]
_cell_length_b [3.8672]
_cell_length_c [8.0560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca2ZnAsN]
_chemical_formula_sum '[Ca4 Zn2 As2 N2]'
_cell_volume [200.4693]
_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  0.1761  0.2500  0.3721  1.0
  Ca  Ca1  2  0.1892  0.2500  0.9654  1.0
  Zn  Zn2  2  0.4661  0.7500  0.2503  1.0
  As  As3  2  0.3037  0.7500  0.6955  1.0
  N  N4  2  0.1665  0.7500  0.1713  1.0
]