data_TaBe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   137.2
_cell_angle_beta   137.2
_cell_angle_gamma   62.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBe2Cl
_chemical_formula_sum   'Ta1 Be2 Cl1'
_cell_volume   53.19
_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  Ta3  1  0.0  0.78  0.09  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Be  Be1  1  0.78  0.0  0.09  1.0
  Cl  Cl2  1  0.0  0.0  0.19  1.0

data_TaBe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   4.89
_cell_angle_alpha   111.4
_cell_angle_beta   111.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBe2Cl
_chemical_formula_sum   'Ta1 Be2 Cl1'
_cell_volume   53.19
_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  0.69  0.78  0.69  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Be  Be2  1  0.91  0.0  0.69  1.0
  Cl  Cl3  1  0.81  0.0  0.81  1.0

Ta Be Be Cl