data_MgOsW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   135.88
_cell_angle_beta   135.88
_cell_angle_gamma   64.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgOsW2
_chemical_formula_sum   'Mg1 Os1 W2'
_cell_volume   63.05
_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  0.0  0.31  1.0
  W  W2  1  0.0  0.91  0.16  1.0
  W  W3  1  0.91  0.0  0.16  1.0

data_MgOsW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   122.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgOsW2
_chemical_formula_sum   'Mg2 Os2 W4'
_cell_volume   126.1
_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
  Os  Os1  2  0.0  0.0  0.31  1.0
  W  W2  4  0.04  0.04  0.24  1.0

Mg Os W W