data_MgScNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   4.49
_cell_angle_alpha   105.2
_cell_angle_beta   105.2
_cell_angle_gamma   34.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScNi2
_chemical_formula_sum   'Mg1 Sc1 Ni2'
_cell_volume   60.86
_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  0.75  0.0  0.84  1.0
  Sc  Sc3  1  0.27  0.0  0.39  1.0
  Ni  Ni1  1  0.36  0.0  0.11  1.0
  Ni  Ni2  1  0.69  0.0  0.15  1.0

data_MgScNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.49
_cell_length_c   5.0
_cell_angle_alpha   105.2
_cell_angle_beta   107.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScNi2
_chemical_formula_sum   'Mg1 Sc1 Ni2'
_cell_volume   60.86
_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  0.84  0.75  1.0
  Sc  Sc1  1  0.0  0.39  0.27  1.0
  Ni  Ni2  1  0.0  0.11  0.36  1.0
  Ni  Ni3  1  0.0  0.15  0.69  1.0

Mg Sc Ni Ni