data_CaY2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   5.45
_cell_angle_alpha   128.76
_cell_angle_beta   120.17
_cell_angle_gamma   82.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaY2W
_chemical_formula_sum   'Ca1 Y2 W1'
_cell_volume   104.75
_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  0.0  0.0  0.0  1.0
  Y  Y2  1  0.36  0.0  0.23  1.0
  Y  Y3  1  0.0  0.72  0.86  1.0
  W  W1  1  0.0  0.0  0.09  1.0

data_CaY2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.71
_cell_length_b   5.43
_cell_length_c   5.45
_cell_angle_alpha   119.92
_cell_angle_beta   115.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaY2W
_chemical_formula_sum   'Ca1 Y2 W1'
_cell_volume   104.75
_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  0.0  0.0  0.0  1.0
  Y  Y1  1  0.0  0.23  0.88  1.0
  Y  Y2  1  0.28  0.14  0.14  1.0
  W  W3  1  0.0  0.09  0.09  1.0

Ca Y Y W