data_LaMg2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   3.21
_cell_angle_alpha   102.51
_cell_angle_beta   102.51
_cell_angle_gamma   120.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg2Sn
_chemical_formula_sum   'La1 Mg2 Sn1'
_cell_volume   110.41
_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
  La  La0  1  0.29  0.0  0.0  1.0
  Mg  Mg1  1  0.94  0.1  0.44  1.0
  Mg  Mg2  1  0.94  0.9  0.44  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

data_LaMg2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.93
_cell_length_c   6.68
_cell_angle_alpha   115.54
_cell_angle_beta   102.51
_cell_angle_gamma   93.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg2Sn
_chemical_formula_sum   'La1 Mg2 Sn1'
_cell_volume   110.41
_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
  La  La0  1  0.0  0.0  0.29  1.0
  Mg  Mg1  1  0.35  0.9  0.85  1.0
  Mg  Mg2  1  0.54  0.1  0.04  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0

La Mg Mg Sn