data_[Sr10Sn10Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8247]
_cell_length_b [4.9879]
_cell_length_c [11.0177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.4383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr5Sn5Au2]
_chemical_formula_sum '[Sr10 Sn10 Au4]'
_cell_volume [734.1466]
_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
[
  Sr  Sr0  4  0.1280  0.5000  0.9344  1
  Sr  Sr1  4  0.1742  0.5000  0.3400  1
  Sr  Sr2  2  0.0000  0.5000  0.5000  1
  Sn  Sn3  4  0.0341  0.0000  0.3202  1
  Sn  Sn4  4  0.2453  0.0000  0.2295  1
  Sn  Sn5  2  0.0000  0.0000  0.0000  1
  Au  Au6  4  0.1553  0.0000  0.7368  1
]