data_Li2MgCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   128.67
_cell_angle_beta   126.4
_cell_angle_gamma   77.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgCu
_chemical_formula_sum   'Li2 Mg1 Cu1'
_cell_volume   64.31
_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  Li1  1  0.0  0.0  0.03  1.0
  Li  Li2  1  0.0  0.13  0.86  1.0
  Mg  Mg3  1  0.0  0.0  0.67  1.0
  Cu  Cu0  1  0.05  0.0  0.82  1.0

data_Li2MgCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.26
_cell_length_c   4.73
_cell_angle_alpha   116.8
_cell_angle_beta   115.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgCu
_chemical_formula_sum   'Li2 Mg1 Cu1'
_cell_volume   64.31
_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  0.03  0.03  1.0
  Li  Li1  1  0.87  0.73  0.73  1.0
  Mg  Mg2  1  0.0  0.67  0.67  1.0
  Cu  Cu3  1  0.0  0.82  0.77  1.0

Li Li Mg Cu