data_CaTl2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   5.47
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   94.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTl2W
_chemical_formula_sum   'Ca1 Tl2 W1'
_cell_volume   94.54
_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  0.42  0.0  0.22  1.0
  Tl  Tl1  1  0.32  0.73  0.58  1.0
  Tl  Tl2  1  0.12  0.0  0.51  1.0
  W  W3  1  0.66  0.73  0.74  1.0

data_CaTl2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.47
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   94.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTl2W
_chemical_formula_sum   'Ca1 Tl2 W1'
_cell_volume   94.54
_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  0.42  0.0  0.22  1.0
  Tl  Tl1  1  0.12  0.0  0.51  1.0
  Tl  Tl2  1  0.32  0.73  0.58  1.0
  W  W3  1  0.66  0.73  0.74  1.0

Ca Tl Tl W