data_YMg2Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   149.28
_cell_angle_beta   127.16
_cell_angle_gamma   62.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg2Nb
_chemical_formula_sum   'Y1 Mg2 Nb1'
_cell_volume   90.28
_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  0.73  1.0
  Mg  Mg0  1  0.61  0.0  0.14  1.0
  Mg  Mg1  1  0.0  0.0  0.61  1.0
  Nb  Nb2  1  0.61  0.0  0.1  1.0

data_YMg2Nb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.4
_cell_length_c   6.07
_cell_angle_alpha   116.42
_cell_angle_beta   105.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg2Nb
_chemical_formula_sum   'Y1 Mg2 Nb1'
_cell_volume   90.28
_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  0.27  0.27  0.27  1.0
  Mg  Mg1  1  0.39  0.39  0.39  1.0
  Mg  Mg2  1  0.47  0.86  0.47  1.0
  Nb  Nb3  1  0.5  0.9  0.5  1.0

Y Mg Mg Nb