data_MgNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   146.07
_cell_angle_beta   133.26
_cell_angle_gamma   59.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNi2
_chemical_formula_sum   'Mg1 Ni2'
_cell_volume   38.54
_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  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.39  1.0
  Ni  Ni2  1  0.0  0.0  0.57  1.0

data_MgNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   3.63
_cell_length_c   4.57
_cell_angle_alpha   113.37
_cell_angle_beta   106.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNi2
_chemical_formula_sum   'Mg1 Ni2'
_cell_volume   38.54
_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  0.0  0.0  1.0
  Ni  Ni1  1  0.43  0.43  0.43  1.0
  Ni  Ni2  1  0.61  0.61  0.61  1.0

Mg Ni Ni
Mg Ni Ni 0 2 o o - 0 1 o o o 1 2 o o o 