data_ScMnW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   147.6
_cell_angle_beta   147.6
_cell_angle_gamma   46.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScMnW
_chemical_formula_sum   'Sc1 Mn1 W1'
_cell_volume   47.54
_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  0.0  0.0  0.43  1.0
  Mn  Mn0  1  0.0  0.0  0.16  1.0
  W  W2  1  0.0  0.0  0.51  1.0

data_ScMnW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   113.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScMnW
_chemical_formula_sum   'Sc2 Mn2 W2'
_cell_volume   95.07
_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
  Sc  Sc0  2  0.0  0.0  0.57  1.0
  Mn  Mn1  2  0.0  0.0  0.84  1.0
  W  W2  2  0.0  0.0  0.49  1.0

Sc Mn W
Sc Mn W 0 2 o o o 0 1 o o o 