data_YAsW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.83
_cell_angle_alpha   146.44
_cell_angle_beta   146.44
_cell_angle_gamma   48.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAsW
_chemical_formula_sum   'Y1 As1 W1'
_cell_volume   60.19
_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
  Y  Y2  1  0.0  0.0  0.1  1.0
  As  As0  1  0.0  0.0  0.29  1.0
  W  W1  1  0.0  0.0  0.88  1.0

data_YAsW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   114.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YAsW
_chemical_formula_sum   'Y2 As2 W2'
_cell_volume   120.38
_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
  Y  Y0  2  0.1  0.0  0.1  1.0
  As  As1  2  0.29  0.0  0.29  1.0
  W  W2  2  0.38  0.5  0.88  1.0

Y As W
Y As W 0 2 o o - 0 1 o o o 