data_[Li1Co2B1As1Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Co  1.8800  1.3500  0.7683
  B  2.0400  0.8500  0.4100
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.7698]
_cell_length_b [3.4585]
_cell_length_c [6.1708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7415]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiCo2BAsAu]
_chemical_formula_sum '[Li1 Co2 B1 As1 Au1]'
_cell_volume [80.0485]
_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
[
  Li  Li0  1  0.6480  0.5000  0.9166  1
  Co  Co1  1  0.2515  0.5000  0.3533  1
  Co  Co2  1  0.7352  0.0000  0.3168  1
  B  B3  1  0.7734  0.5000  0.4723  1
  As  As4  1  0.1995  0.0000  0.1033  1
  Au  Au5  1  0.0794  0.0000  0.6960  1
]