data_LiTaCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.63
_cell_length_b   4.46
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   91.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTaCu2
_chemical_formula_sum   'Li1 Ta1 Cu2'
_cell_volume   55.87
_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  0.97  0.0  0.77  1.0
  Ta  Ta3  1  0.92  0.23  0.86  1.0
  Cu  Cu0  1  0.29  0.0  0.23  1.0
  Cu  Cu1  1  0.25  0.23  0.26  1.0

data_LiTaCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   4.46
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   91.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTaCu2
_chemical_formula_sum   'Li1 Ta1 Cu2'
_cell_volume   55.87
_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  0.97  0.0  0.77  1.0
  Ta  Ta1  1  0.92  0.23  0.86  1.0
  Cu  Cu2  1  0.25  0.23  0.26  1.0
  Cu  Cu3  1  0.29  0.0  0.23  1.0

Li Ta Cu Cu