data_Y2MgSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85
_cell_length_b   8.85
_cell_length_c   8.85
_cell_angle_alpha   152.23
_cell_angle_beta   152.23
_cell_angle_gamma   39.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MgSn2
_chemical_formula_sum   'Y2 Mg1 Sn2'
_cell_volume   150.36
_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
  Y  Y3  1  0.0  0.0  0.08  1.0
  Y  Y4  1  0.0  0.0  0.58  1.0
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.12  0.16  1.0
  Sn  Sn2  1  0.12  0.0  0.16  1.0

data_Y2MgSn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   8.85
_cell_angle_alpha   90.0
_cell_angle_beta   109.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2MgSn2
_chemical_formula_sum   'Y4 Mg2 Sn4'
_cell_volume   300.71
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Y  Y0  2  0.08  0.0  0.08  1.0
  Y  Y1  2  0.08  0.5  0.58  1.0
  Mg  Mg2  2  0.0  0.0  0.0  1.0
  Sn  Sn3  4  0.1  0.06  0.04  1.0

Y Y Mg Sn Sn