data_LiMg2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   4.32
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   106.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg2Si
_chemical_formula_sum   'Li1 Mg2 Si1'
_cell_volume   72.77
_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  0.84  0.0  0.01  1.0
  Mg  Mg1  1  0.39  0.16  0.12  1.0
  Mg  Mg2  1  0.37  0.0  0.6  1.0
  Si  Si3  1  0.77  0.16  0.64  1.0

data_LiMg2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   4.32
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   106.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg2Si
_chemical_formula_sum   'Li1 Mg2 Si1'
_cell_volume   72.77
_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  0.84  0.0  0.01  1.0
  Mg  Mg1  1  0.37  0.0  0.6  1.0
  Mg  Mg2  1  0.39  0.16  0.12  1.0
  Si  Si3  1  0.77  0.16  0.64  1.0

Li Mg Mg Si