data_Mg2NbPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   132.13
_cell_angle_beta   132.13
_cell_angle_gamma   70.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NbPt
_chemical_formula_sum   'Mg2 Nb1 Pt1'
_cell_volume   71.59
_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  0.07  0.09  1.0
  Mg  Mg1  1  0.07  0.0  0.09  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.18  1.0

data_Mg2NbPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   125.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2NbPt
_chemical_formula_sum   'Mg4 Nb2 Pt2'
_cell_volume   143.18
_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  4  0.45  0.47  0.98  1.0
  Nb  Nb1  2  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.32  0.5  0.82  1.0

Mg Mg Nb Pt