data_[Li2Ca4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.5377]
_cell_length_b [4.2159]
_cell_length_c [11.4527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [LiCa2Au]
_chemical_formula_sum '[Li2 Ca4 Au2]'
_cell_volume [219.0960]
_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
[
  Li  Li0  2  0.0000  0.0000  0.3154  1.0
  Ca  Ca1  2  0.0000  0.0000  0.0171  1.0
  Ca  Ca2  2  0.5000  0.0000  0.7288  1.0
  Au  Au3  2  0.5000  0.0000  0.4400  1.0
]