data_LiCu2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.6
_cell_length_b   2.6
_cell_length_c   7.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCu2P
_chemical_formula_sum   'Li1 Cu2 P1'
_cell_volume   51.17
_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  Li2  1  0.0  0.0  0.73  1.0
  Cu  Cu0  1  0.0  0.0  0.03  1.0
  Cu  Cu1  1  0.78  0.0  0.76  1.0
  P  P3  1  0.78  0.0  0.83  1.0

data_LiCu2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   2.6
_cell_length_c   7.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCu2P
_chemical_formula_sum   'Li1 Cu2 P1'
_cell_volume   51.17
_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  0.0  0.0  0.73  1.0
  Cu  Cu1  1  0.0  0.0  0.03  1.0
  Cu  Cu2  1  0.78  0.0  0.76  1.0
  P  P3  1  0.78  0.0  0.83  1.0

Li Cu Cu P