data_MgIn2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   130.08
_cell_angle_beta   130.08
_cell_angle_gamma   73.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2Pt
_chemical_formula_sum   'Mg1 In2 Pt1'
_cell_volume   79.75
_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  Mg2  1  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.19  0.08  1.0
  In  In1  1  0.19  0.0  0.08  1.0
  Pt  Pt3  1  0.0  0.0  0.16  1.0

data_MgIn2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   126.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgIn2Pt
_chemical_formula_sum   'Mg2 In4 Pt2'
_cell_volume   159.5
_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  0.0  0.0  0.0  1.0
  In  In1  4  0.01  0.09  0.11  1.0
  Pt  Pt2  2  0.34  0.5  0.84  1.0

Mg In In Pt
Mg In In Pt 0 1 o o o 0 2 o o o 0 3 o o o 