data_Mg2NiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   134.03
_cell_angle_beta   132.68
_cell_angle_gamma   68.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NiSb
_chemical_formula_sum   'Mg2 Ni1 Sb1'
_cell_volume   72.18
_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  0.02  0.0  0.1  1.0
  Mg  Mg1  1  0.0  0.08  0.19  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.29  1.0

data_Mg2NiSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.16
_cell_length_c   5.18
_cell_angle_alpha   113.66
_cell_angle_beta   112.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NiSb
_chemical_formula_sum   'Mg2 Ni1 Sb1'
_cell_volume   72.18
_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  0.1  0.08  1.0
  Mg  Mg1  1  0.92  0.11  0.11  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.29  0.29  1.0

Mg Mg Ni Sb
Mg Mg Ni Sb 0 2 o o o 0 1 o o o 1 3 o o o 