data_[Ca2Be1Ag1Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Be  1.5700  1.0500  0.5900
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5008]
_cell_length_b [6.4141]
_cell_length_c [7.3748]
_cell_angle_alpha [76.4425]
_cell_angle_beta [68.4838]
_cell_angle_gamma [64.8565]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ca2BeAgAu6]
_chemical_formula_sum '[Ca2 Be1 Ag1 Au6]'
_cell_volume [218.1789]
_cell_formula_units_Z [1]
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  0.2114  0.2459  0.3203  1.0
  Be  Be1  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  1  0.5000  0.5000  0.5000  1.0
  Au  Au3  2  0.2301  0.7872  0.2334  1.0
  Au  Au4  2  0.2481  0.6292  0.8849  1.0
  Au  Au5  2  0.2673  0.2064  0.7801  1.0
]