data_MgCr2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.68
_cell_length_b   4.49
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   100.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCr2Pt
_chemical_formula_sum   'Mg1 Cr2 Pt1'
_cell_volume   56.21
_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
  Cr  Cr0  1  0.12  0.24  0.65  1.0
  Cr  Cr1  1  0.67  0.24  0.02  1.0
  Pt  Pt3  1  0.9  0.0  0.33  1.0

data_MgCr2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.49
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   100.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCr2Pt
_chemical_formula_sum   'Mg1 Cr2 Pt1'
_cell_volume   56.21
_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
  Cr  Cr1  1  0.12  0.24  0.65  1.0
  Cr  Cr2  1  0.67  0.24  0.02  1.0
  Pt  Pt3  1  0.9  0.0  0.33  1.0

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