data_MgOsW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   2.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgOsW2
_chemical_formula_sum   'Mg1 Os1 W2'
_cell_volume   63.5
_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
  Os  Os1  1  0.68  0.0  0.0  1.0
  W  W2  1  0.34  0.85  0.38  1.0
  W  W3  1  0.34  0.15  0.38  1.0

data_MgOsW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   116.02
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgOsW2
_chemical_formula_sum   'Mg1 Os1 W2'
_cell_volume   63.5
_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
  Os  Os1  1  -0.0  0.68  0.0  1.0
  W  W2  1  0.38  0.34  0.15  1.0
  W  W3  1  0.38  0.34  0.85  1.0

Mg Os W W
Mg Os W W 0 1 - o o 0 3 o o o 1 2 o - o 2 3 o + o 