data_[Ca4As2P2Au12]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.6343]
_cell_length_b [8.2656]
_cell_length_c [9.6585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ca2AsPAu6]
_chemical_formula_sum '[Ca4 As2 P2 Au12]'
_cell_volume [449.8059]
_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  0.2476  0.7385  1
  As  As1  2  0.0000  0.5000  0.2967  1
  P  P2  2  0.0000  0.0000  0.2846  1
  Au  Au3  4  0.0000  0.2394  0.1355  1
  Au  Au4  4  0.2493  0.5000  0.5153  1
  Au  Au5  4  0.2497  0.5000  0.0136  1
]