data_SrMgNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.06
_cell_angle_alpha   106.11
_cell_angle_beta   106.11
_cell_angle_gamma   34.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMgNi2
_chemical_formula_sum   'Sr1 Mg1 Ni2'
_cell_volume   77.72
_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
  Sr  Sr3  1  0.45  0.0  0.58  1.0
  Mg  Mg0  1  0.06  0.0  0.76  1.0
  Ni  Ni1  1  0.87  0.0  0.09  1.0
  Ni  Ni2  1  0.83  0.0  0.83  1.0

data_SrMgNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.06
_cell_length_c   5.32
_cell_angle_alpha   106.11
_cell_angle_beta   107.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrMgNi2
_chemical_formula_sum   'Sr1 Mg1 Ni2'
_cell_volume   77.72
_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
  Sr  Sr0  1  0.0  0.58  0.45  1.0
  Mg  Mg1  1  0.0  0.76  0.06  1.0
  Ni  Ni2  1  0.0  0.09  0.87  1.0
  Ni  Ni3  1  0.0  0.83  0.83  1.0

Sr Mg Ni Ni