data_LaY2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66
_cell_length_b   6.66
_cell_length_c   5.58
_cell_angle_alpha   113.0
_cell_angle_beta   113.0
_cell_angle_gamma   33.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY2Mg
_chemical_formula_sum   'La1 Y2 Mg1'
_cell_volume   126.16
_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  0.44  0.0  0.67  1.0
  Y  Y2  1  0.22  0.0  0.01  1.0
  Y  Y3  1  0.95  0.0  0.22  1.0
  Mg  Mg1  1  0.56  0.0  0.82  1.0

data_LaY2Mg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   5.58
_cell_length_c   6.66
_cell_angle_alpha   113.0
_cell_angle_beta   106.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaY2Mg
_chemical_formula_sum   'La1 Y2 Mg1'
_cell_volume   126.16
_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  0.67  0.44  1.0
  Y  Y1  1  0.0  0.01  0.22  1.0
  Y  Y2  1  0.0  0.22  0.95  1.0
  Mg  Mg3  1  0.0  0.82  0.56  1.0

La Y Y Mg