data_[Ca4La2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7985]
_cell_length_b [4.8257]
_cell_length_c [11.0618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca2LaAu2]
_chemical_formula_sum '[Ca4 La2 Au4]'
_cell_volume [307.0823]
_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  2  0.1135  0.7500  0.8791  1.0
  Ca  Ca1  2  0.2436  0.7500  0.5374  1.0
  La  La2  2  0.3987  0.7500  0.2095  1.0
  Au  Au3  2  0.2336  0.2500  0.3601  1.0
  Au  Au4  2  0.3593  0.2500  0.0257  1.0
]