data_[Li1Co2P2Pd1]
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
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.5951]
_cell_length_b [3.5951]
_cell_length_c [5.8332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [LiCo2P2Pd]
_chemical_formula_sum '[Li1 Co2 P2 Pd1]'
_cell_volume [75.3921]
_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  0.3585  1
  Co  Co1  2  0.0000  0.5000  0.0031  1
  P  P2  1  0.0000  0.0000  0.7791  1
  P  P3  1  0.5000  0.5000  0.2245  1
  Pd  Pd4  1  0.5000  0.5000  0.6317  1
]