data_MgPtW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   4.07
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   95.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPtW2
_chemical_formula_sum   'Mg1 Pt1 W2'
_cell_volume   65.37
_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  0.44  0.0  0.97  1.0
  Pt  Pt1  1  0.0  0.03  0.25  1.0
  W  W2  1  0.19  0.0  0.06  1.0
  W  W3  1  0.14  0.03  0.41  1.0

data_MgPtW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.07
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   95.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPtW2
_chemical_formula_sum   'Mg1 Pt1 W2'
_cell_volume   65.37
_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  0.44  0.0  0.97  1.0
  Pt  Pt1  1  0.0  0.03  0.25  1.0
  W  W2  1  0.14  0.03  0.41  1.0
  W  W3  1  0.19  0.0  0.06  1.0

Mg Pt W W
Mg Pt W W 0 2 o o + 1 3 o o o 