data_[Li6Cr4Cu2O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8491]
_cell_length_b [2.9483]
_cell_length_c [5.8824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0933]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Cr2CuO6]
_chemical_formula_sum '[Li6 Cr4 Cu2 O12]'
_cell_volume [217.0520]
_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  4  0.1624  0.0000  0.8325  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Cr  Cr2  4  0.1663  0.0000  0.3293  1.0
  Cu  Cu3  2  0.0000  0.5000  0.0000  1.0
  O  O4  4  0.0073  0.0000  0.2389  1.0
  O  O5  4  0.1636  0.5000  0.0954  1.0
  O  O6  4  0.1713  0.5000  0.5678  1.0
]