data_MgNiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   6.06
_cell_angle_alpha   149.65
_cell_angle_beta   149.65
_cell_angle_gamma   43.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNiSb
_chemical_formula_sum   'Mg1 Ni1 Sb1'
_cell_volume   56.77
_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  0.96  1.0
  Ni  Ni1  1  0.0  0.0  0.71  1.0
  Sb  Sb2  1  0.0  0.0  0.87  1.0

data_MgNiSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   111.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgNiSb
_chemical_formula_sum   'Mg2 Ni2 Sb2'
_cell_volume   113.54
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.46  0.5  0.96  1.0
  Ni  Ni1  2  0.21  0.5  0.71  1.0
  Sb  Sb2  2  0.37  0.5  0.87  1.0

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