data_CaPtW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   6.62
_cell_angle_alpha   152.76
_cell_angle_beta   152.76
_cell_angle_gamma   38.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPtW
_chemical_formula_sum   'Ca1 Pt1 W1'
_cell_volume   60.6
_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  0.46  1.0
  Pt  Pt1  1  0.0  0.0  0.85  1.0
  W  W2  1  0.0  0.0  0.64  1.0

data_CaPtW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   6.62
_cell_angle_alpha   90.0
_cell_angle_beta   109.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaPtW
_chemical_formula_sum   'Ca2 Pt2 W2'
_cell_volume   121.21
_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  0.46  0.0  0.46  1.0
  Pt  Pt1  2  0.35  0.5  0.85  1.0
  W  W2  2  0.14  0.5  0.64  1.0

Ca Pt W
Ca Pt W 0 2 o o o 1 2 o o o 