data_YMg2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   5.17
_cell_angle_alpha   110.99
_cell_angle_beta   110.99
_cell_angle_gamma   34.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg2Pb
_chemical_formula_sum   'Y1 Mg2 Pb1'
_cell_volume   106.13
_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  Mg0  1  0.45  0.0  0.56  1.0
  Mg  Mg1  1  0.58  0.0  0.23  1.0
  Pb  Pb2  1  0.01  0.0  0.4  1.0

data_YMg2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   5.17
_cell_length_c   6.26
_cell_angle_alpha   110.99
_cell_angle_beta   107.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg2Pb
_chemical_formula_sum   'Y1 Mg2 Pb1'
_cell_volume   106.13
_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  0.0  0.23  0.58  1.0
  Mg  Mg2  1  0.0  0.56  0.45  1.0
  Pb  Pb3  1  0.0  0.4  0.01  1.0

Y Mg Mg Pb