data_Mg2RhW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   8.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2RhW
_chemical_formula_sum   'Mg2 Rh1 W1'
_cell_volume   65.2
_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  0.4  0.4  0.42  1.0
  Mg  Mg1  1  0.4  0.4  0.88  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.15  1.0

data_Mg2RhW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   8.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2RhW
_chemical_formula_sum   'Mg4 Rh2 W2'
_cell_volume   130.41
_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  0.4  0.0  0.42  1.0
  Mg  Mg1  2  0.4  0.0  0.88  1.0
  Rh  Rh2  2  0.0  0.0  0.0  1.0
  W  W3  2  0.0  0.0  0.15  1.0

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