data_YMg2Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.5
_cell_angle_alpha   109.13
_cell_angle_beta   109.13
_cell_angle_gamma   32.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg2Nb
_chemical_formula_sum   'Y1 Mg2 Nb1'
_cell_volume   90.79
_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  0.75  0.0  0.56  1.0
  Mg  Mg0  1  0.06  0.0  0.92  1.0
  Mg  Mg1  1  0.16  0.0  0.05  1.0
  Nb  Nb2  1  0.72  0.0  0.39  1.0

data_YMg2Nb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.5
_cell_length_c   5.71
_cell_angle_alpha   109.13
_cell_angle_beta   106.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg2Nb
_chemical_formula_sum   'Y1 Mg2 Nb1'
_cell_volume   90.79
_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  0.56  0.75  1.0
  Mg  Mg1  1  0.0  0.05  0.16  1.0
  Mg  Mg2  1  0.0  0.92  0.06  1.0
  Nb  Nb3  1  0.0  0.39  0.72  1.0

Y Mg Mg Nb