data_MgSb2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   6.87
_cell_angle_alpha   105.52
_cell_angle_beta   105.52
_cell_angle_gamma   55.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSb2Pt
_chemical_formula_sum   'Mg1 Sb2 Pt1'
_cell_volume   95.94
_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
  Sb  Sb2  1  0.29  0.0  0.62  1.0
  Sb  Sb3  1  0.07  0.0  0.93  1.0
  Pt  Pt1  1  0.68  0.0  0.28  1.0

data_MgSb2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   4.21
_cell_length_c   6.87
_cell_angle_alpha   105.52
_cell_angle_beta   90.0
_cell_angle_gamma   117.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSb2Pt
_chemical_formula_sum   'Mg1 Sb2 Pt1'
_cell_volume   95.94
_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
  Sb  Sb1  1  0.0  0.71  0.38  1.0
  Sb  Sb2  1  0.0  0.93  0.07  1.0
  Pt  Pt3  1  0.0  0.32  0.72  1.0

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