data_La2YMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79
_cell_length_b   6.79
_cell_length_c   5.79
_cell_angle_alpha   114.69
_cell_angle_beta   114.69
_cell_angle_gamma   33.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2YMg
_chemical_formula_sum   'La2 Y1 Mg1'
_cell_volume   131.89
_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  0.98  0.0  0.02  1.0
  La  La1  1  0.34  0.0  0.36  1.0
  Y  Y3  1  0.14  0.0  0.77  1.0
  Mg  Mg2  1  0.29  0.0  0.66  1.0

data_La2YMg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   5.79
_cell_length_c   6.79
_cell_angle_alpha   114.69
_cell_angle_beta   106.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2YMg
_chemical_formula_sum   'La2 Y1 Mg1'
_cell_volume   131.89
_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  0.02  0.98  1.0
  La  La1  1  0.0  0.36  0.34  1.0
  Y  Y2  1  0.0  0.77  0.14  1.0
  Mg  Mg3  1  0.0  0.66  0.29  1.0

La La Y Mg