data_CaPtW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   138.84
_cell_angle_beta   138.84
_cell_angle_gamma   59.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPtW2
_chemical_formula_sum   'Ca1 Pt1 W2'
_cell_volume   71.98
_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
  Pt  Pt1  1  0.0  0.0  0.79  1.0
  W  W2  1  0.0  0.94  0.39  1.0
  W  W3  1  0.94  0.0  0.39  1.0

data_CaPtW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   119.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaPtW2
_chemical_formula_sum   'Ca2 Pt2 W4'
_cell_volume   143.97
_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  0.0  0.0  0.0  1.0
  Pt  Pt1  2  0.0  0.0  0.21  1.0
  W  W2  4  0.47  0.47  0.55  1.0

Ca Pt W W