data_Mg2InNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   143.49
_cell_angle_beta   129.91
_cell_angle_gamma   63.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2InNi
_chemical_formula_sum   'Mg2 In1 Ni1'
_cell_volume   72.3
_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  Mg1  1  0.0  0.3  0.6  1.0
  Mg  Mg2  1  0.7  0.0  0.02  1.0
  In  In0  1  0.0  0.0  0.62  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_Mg2InNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.6
_cell_length_c   5.43
_cell_angle_alpha   115.05
_cell_angle_beta   108.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2InNi
_chemical_formula_sum   'Mg2 In1 Ni1'
_cell_volume   72.3
_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  0.4  0.7  0.7  1.0
  Mg  Mg1  1  0.69  0.98  0.69  1.0
  In  In2  1  0.38  0.38  0.38  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Mg Mg In Ni