data_[Li1Cu7Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3781]
_cell_length_b [5.0622]
_cell_length_c [6.7060]
_cell_angle_alpha [78.8491]
_cell_angle_beta [70.9718]
_cell_angle_gamma [89.8722]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiCu7Ni4]
_chemical_formula_sum '[Li1 Cu7 Ni4]'
_cell_volume [137.5554]
_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  0.0000  0.0000  0.0000  1
  Cu  Cu1  2  0.1692  0.9174  0.3348  1
  Cu  Cu2  2  0.3325  0.3332  0.6653  1
  Cu  Cu3  2  0.4982  0.7482  0.9994  1
  Cu  Cu4  1  0.0000  0.5000  0.0000  1
  Ni  Ni5  2  0.1626  0.4151  0.3324  1
  Ni  Ni6  2  0.3378  0.8286  0.6654  1
]