data_[Ca4Mg10As6N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  As  2.1800  1.1500  0.6600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.2507]
_cell_length_b [4.2507]
_cell_length_c [23.7852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ca2Mg5As3N2]
_chemical_formula_sum '[Ca4 Mg10 As6 N4]'
_cell_volume [429.7596]
_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  0.0000  0.0000  0.3058  1.0
  Mg  Mg1  8  0.0000  0.5000  0.0911  1.0
  Mg  Mg2  2  0.0000  0.0000  0.5000  1.0
  As  As3  4  0.0000  0.0000  0.1762  1.0
  As  As4  2  0.0000  0.0000  0.0000  1.0
  N  N5  4  0.0000  0.0000  0.4115  1.0
]