data_MgRu2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   4.14
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   102.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRu2W
_chemical_formula_sum   'Mg1 Ru2 W1'
_cell_volume   61.88
_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
  Ru  Ru1  1  0.59  0.07  0.39  1.0
  Ru  Ru2  1  0.05  0.07  0.97  1.0
  W  W3  1  0.82  0.0  0.68  1.0

data_MgRu2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.14
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   102.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRu2W
_chemical_formula_sum   'Mg1 Ru2 W1'
_cell_volume   61.88
_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
  Ru  Ru1  1  0.05  0.07  0.97  1.0
  Ru  Ru2  1  0.59  0.07  0.39  1.0
  W  W3  1  0.82  0.0  0.68  1.0

Mg Ru Ru W
Mg Ru Ru W 0 2 o o - 0 3 - o - 1 3 o o o 2 3 - o o 