data_CaYW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.29
_cell_length_b   8.19
_cell_length_c   3.13
_cell_angle_alpha   80.81
_cell_angle_beta   77.27
_cell_angle_gamma   21.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYW
_chemical_formula_sum   'Ca1 Y1 W1'
_cell_volume   76.91
_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
  Ca  Ca0  1  0.03  0.39  0.34  1.0
  Y  Y2  1  0.03  0.39  0.88  1.0
  W  W1  1  0.03  0.39  0.65  1.0

data_CaYW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.05
_cell_length_b   15.87
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   130.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaYW
_chemical_formula_sum   'Ca2 Y2 W2'
_cell_volume   153.81
_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
  Ca  Ca0  2  0.39  0.0  0.63  1.0
  Y  Y1  2  0.39  0.0  0.09  1.0
  W  W2  2  0.39  0.0  0.32  1.0

Ca Y W
Ca Y W 0 2 o o o 1 2 o o o 