data_Sc2HgW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.28
_cell_angle_alpha   98.78
_cell_angle_beta   98.78
_cell_angle_gamma   32.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2HgW
_chemical_formula_sum   'Sc2 Hg1 W1'
_cell_volume   80.78
_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
  Sc  Sc1  1  0.36  0.0  0.03  1.0
  Sc  Sc2  1  0.67  0.0  0.57  1.0
  Hg  Hg0  1  0.81  0.0  0.05  1.0
  W  W3  1  0.87  0.0  0.39  1.0

data_Sc2HgW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.28
_cell_length_c   5.37
_cell_angle_alpha   98.78
_cell_angle_beta   106.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2HgW
_chemical_formula_sum   'Sc2 Hg1 W1'
_cell_volume   80.78
_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
  Sc  Sc0  1  0.0  0.03  0.36  1.0
  Sc  Sc1  1  0.0  0.57  0.67  1.0
  Hg  Hg2  1  0.0  0.05  0.81  1.0
  W  W3  1  0.0  0.39  0.87  1.0

Sc Sc Hg W