data_YMg2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   5.77
_cell_angle_alpha   135.12
_cell_angle_beta   135.12
_cell_angle_gamma   65.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg2Zn
_chemical_formula_sum   'Y1 Mg2 Zn1'
_cell_volume   94.42
_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  Y2  1  0.0  0.0  0.86  1.0
  Mg  Mg0  1  0.2  0.0  0.43  1.0
  Mg  Mg1  1  0.0  0.2  0.43  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

data_YMg2Zn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   5.77
_cell_angle_alpha   90.0
_cell_angle_beta   122.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YMg2Zn
_chemical_formula_sum   'Y2 Mg4 Zn2'
_cell_volume   188.85
_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  0.14  0.0  0.14  1.0
  Mg  Mg1  4  0.17  0.4  0.77  1.0
  Zn  Zn2  2  0.0  0.0  0.0  1.0

Y Mg Mg Zn