data_Mg2InSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   6.91
_cell_angle_alpha   149.85
_cell_angle_beta   140.88
_cell_angle_gamma   50.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2InSb
_chemical_formula_sum   'Mg2 In1 Sb1'
_cell_volume   103.87
_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  0.8  0.0  0.44  1.0
  Mg  Mg2  1  0.0  0.0  0.51  1.0
  In  In0  1  0.0  0.0  0.88  1.0
  Sb  Sb3  1  0.8  0.0  0.94  1.0

data_Mg2InSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   4.62
_cell_length_c   6.91
_cell_angle_alpha   109.56
_cell_angle_beta   105.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2InSb
_chemical_formula_sum   'Mg2 In1 Sb1'
_cell_volume   103.87
_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  0.44  0.64  1.0
  Mg  Mg1  1  0.0  0.51  0.51  1.0
  In  In2  1  0.0  0.88  0.88  1.0
  Sb  Sb3  1  0.0  0.94  0.14  1.0

Mg Mg In Sb
Mg Mg In Sb 0 1 + o o 2 3 - o o 