data_Ta2GeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   4.56
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   100.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2GeW
_chemical_formula_sum   'Ta2 Ge1 W1'
_cell_volume   68.52
_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  0.9  0.28  0.36  1.0
  Ta  Ta2  1  0.94  0.28  0.92  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.92  0.0  0.64  1.0

data_Ta2GeW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.56
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   100.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2GeW
_chemical_formula_sum   'Ta2 Ge1 W1'
_cell_volume   68.52
_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  0.9  0.28  0.36  1.0
  Ta  Ta1  1  0.94  0.28  0.92  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.92  0.0  0.64  1.0

Ta Ta Ge W
Ta Ta Ge W 0 2 + o o 0 3 o o o 0 1 o o - 1 2 + o + 1 3 o o o 2 3 - o - 