data_[Li2Cr4Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cr  1.6600  1.4000  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2632]
_cell_length_b [2.3428]
_cell_length_c [4.9214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4942]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiCr2Cu]
_chemical_formula_sum '[Li2 Cr4 Cu2]'
_cell_volume [95.2436]
_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  0.2440  0.0000  0.7378  1
  Cr  Cr1  2  0.2622  0.5000  0.2308  1
  Cr  Cr2  2  0.4960  0.5000  0.0157  1
  Cu  Cu3  2  0.4979  0.0000  0.5157  1
]