data_MgSiNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.13
_cell_angle_alpha   105.93
_cell_angle_beta   105.93
_cell_angle_gamma   36.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSiNi2
_chemical_formula_sum   'Mg1 Si1 Ni2'
_cell_volume   49.86
_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
  Mg  Mg0  1  0.29  0.0  0.82  1.0
  Si  Si3  1  0.81  0.0  0.25  1.0
  Ni  Ni1  1  0.67  0.0  0.12  1.0
  Ni  Ni2  1  0.25  0.0  0.73  1.0

data_MgSiNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.13
_cell_length_c   4.59
_cell_angle_alpha   105.93
_cell_angle_beta   108.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSiNi2
_chemical_formula_sum   'Mg1 Si1 Ni2'
_cell_volume   49.86
_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
  Mg  Mg0  1  0.0  0.82  0.29  1.0
  Si  Si1  1  0.0  0.25  0.81  1.0
  Ni  Ni2  1  0.0  0.12  0.67  1.0
  Ni  Ni3  1  0.0  0.73  0.25  1.0

Mg Si Ni Ni