data_BaTa2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   7.56
_cell_angle_alpha   109.29
_cell_angle_beta   109.29
_cell_angle_gamma   37.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTa2Cl
_chemical_formula_sum   'Ba1 Ta2 Cl1'
_cell_volume   107.0
_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
  Ba  Ba0  1  0.11  0.0  0.43  1.0
  Ta  Ta2  1  0.14  0.0  0.64  1.0
  Ta  Ta3  1  0.65  0.0  0.99  1.0
  Cl  Cl1  1  0.67  0.0  0.65  1.0

data_BaTa2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.98
_cell_length_c   7.55
_cell_angle_alpha   70.8
_cell_angle_beta   77.76
_cell_angle_gamma   71.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaTa2Cl
_chemical_formula_sum   'Ba1 Ta2 Cl1'
_cell_volume   107.0
_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
  Ba  Ba0  1  0.0  0.68  0.43  1.0
  Ta  Ta1  1  0.0  0.5  0.64  1.0
  Ta  Ta2  1  0.0  0.66  0.99  1.0
  Cl  Cl3  1  0.0  0.01  0.65  1.0

Ba Ta Ta Cl