data_[Ca24Au10N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Au  2.5400  1.3500  1.0700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2172]
_cell_length_b [7.5047]
_cell_length_c [9.2843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8307]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca12Au5N2]
_chemical_formula_sum '[Ca24 Au10 N4]'
_cell_volume [1081.5550]
_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  8  0.1478  0.2499  0.5727  1.0
  Ca  Ca1  8  0.1566  0.2579  0.0800  1.0
  Ca  Ca2  4  0.0000  0.5000  0.8176  1.0
  Ca  Ca3  4  0.0015  0.0000  0.8248  1.0
  Au  Au4  4  0.1925  0.5000  0.8406  1.0
  Au  Au5  4  0.1938  0.5000  0.3528  1.0
  Au  Au6  2  0.0000  0.0000  0.5000  1.0
  N  N7  4  0.0000  0.2459  0.0000  1.0
]