data_YMg2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   5.12
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   96.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg2In
_chemical_formula_sum   'Y1 Mg2 In1'
_cell_volume   101.49
_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  0.0  1.0
  Mg  Mg1  1  0.75  0.56  0.34  1.0
  Mg  Mg2  1  0.99  0.56  0.48  1.0
  In  In0  1  0.37  0.0  0.91  1.0

data_YMg2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   5.12
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   96.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg2In
_chemical_formula_sum   'Y1 Mg2 In1'
_cell_volume   101.49
_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  Y0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.75  0.56  0.34  1.0
  Mg  Mg2  1  0.99  0.56  0.48  1.0
  In  In3  1  0.37  0.0  0.91  1.0

Y Mg Mg In
Y Mg Mg In 0 3 o o - 1 2 o o o 