data_[Li2Co2Cu4]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [2.6951]
_cell_length_b [4.1286]
_cell_length_c [8.5877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [LiCoCu2]
_chemical_formula_sum '[Li2 Co2 Cu4]'
_cell_volume [95.5535]
_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  0.4969  1
  Co  Co1  2  0.0000  0.5000  0.2476  1
  Cu  Cu2  2  0.0000  0.0000  0.0026  1
  Cu  Cu3  2  0.0000  0.5000  0.7529  1
]