data_YMg2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.35
_cell_angle_alpha   99.46
_cell_angle_beta   99.46
_cell_angle_gamma   34.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg2Ni
_chemical_formula_sum   'Y1 Mg2 Ni1'
_cell_volume   82.61
_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  0.3  0.0  0.35  1.0
  Mg  Mg0  1  0.09  0.0  0.25  1.0
  Mg  Mg1  1  0.8  0.0  0.94  1.0
  Ni  Ni2  1  0.55  0.0  0.62  1.0

data_YMg2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.25
_cell_length_c   5.35
_cell_angle_alpha   99.46
_cell_angle_beta   90.0
_cell_angle_gamma   107.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg2Ni
_chemical_formula_sum   'Y1 Mg2 Ni1'
_cell_volume   82.61
_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  0.7  0.65  1.0
  Mg  Mg1  1  0.0  0.2  0.06  1.0
  Mg  Mg2  1  0.0  0.91  0.75  1.0
  Ni  Ni3  1  0.0  0.45  0.38  1.0

Y Mg Mg Ni
Y Mg Mg Ni 0 1 o o o 0 3 o o o 1 2 - o - 2 3 o o o 