data_Ta2BeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   3.19
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2BeCl
_chemical_formula_sum   'Ta2 Be1 Cl1'
_cell_volume   63.09
_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  Ta2  1  0.44  0.6  0.5  1.0
  Ta  Ta3  1  0.44  0.6  0.37  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.0  0.0  0.43  1.0

data_Ta2BeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   3.19
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2BeCl
_chemical_formula_sum   'Ta2 Be1 Cl1'
_cell_volume   63.09
_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  0.44  0.6  0.37  1.0
  Ta  Ta1  1  0.44  0.6  0.5  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.0  0.0  0.43  1.0

Ta Ta Be Cl
Ta Ta Be Cl 0 1 o o o 0 3 + + o 0 3 o + o 1 2 + + o 1 2 + o o 1 2 o + o 1 2 o o o 1 3 + + o 1 3 o + o 2 2 + o o 2 2 o + o 2 3 o o o 