data_TaCoW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.91
_cell_angle_alpha   102.12
_cell_angle_beta   102.12
_cell_angle_gamma   32.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCoW2
_chemical_formula_sum   'Ta1 Co1 W2'
_cell_volume   61.94
_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
  Ta  Ta1  1  0.92  0.0  0.32  1.0
  Co  Co0  1  0.18  0.0  0.38  1.0
  W  W2  1  0.27  0.0  0.74  1.0
  W  W3  1  0.34  0.0  0.55  1.0

data_TaCoW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.88
_cell_length_c   4.91
_cell_angle_alpha   102.12
_cell_angle_beta   90.0
_cell_angle_gamma   106.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCoW2
_chemical_formula_sum   'Ta1 Co1 W2'
_cell_volume   61.94
_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
  Ta  Ta0  1  0.0  0.08  0.68  1.0
  Co  Co1  1  0.0  0.82  0.62  1.0
  W  W2  1  0.0  0.66  0.45  1.0
  W  W3  1  0.0  0.73  0.26  1.0

Ta Co W W
Ta Co W W 0 1 + o o 1 3 o o o 2 3 o o o 