data_[Ca4Bi5Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.3475]
_cell_length_b [3.6809]
_cell_length_c [10.3943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2333]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca4Bi5Au2]
_chemical_formula_sum '[Ca4 Bi5 Au2]'
_cell_volume [318.8690]
_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  0.1920  0.5000  0.8691  1
  Ca  Ca1  2  0.2328  0.5000  0.4315  1
  Bi  Bi2  2  0.1563  0.0000  0.1565  1
  Bi  Bi3  2  0.4433  0.0000  0.6764  1
  Bi  Bi4  1  0.5000  0.0000  0.0000  1
  Au  Au5  2  0.0756  0.0000  0.6278  1
]