data_[Li2Gd1Cu1P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Gd  1.2000  1.8000  1.0750
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.0751]
_cell_length_b [4.0751]
_cell_length_c [6.4640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Li2GdCuP2]
_chemical_formula_sum '[Li2 Gd1 Cu1 P2]'
_cell_volume [92.9621]
_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  2  0.3333  0.6667  0.3556  1
  Gd  Gd1  1  0.0000  0.0000  0.0000  1
  Cu  Cu2  1  0.0000  0.0000  0.5000  1
  P  P3  2  0.3333  0.6667  0.7411  1
]