data_Ta2ReCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   4.56
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   95.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2ReCl
_chemical_formula_sum   'Ta2 Re1 Cl1'
_cell_volume   68.11
_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  0.85  0.0  0.15  1.0
  Ta  Ta3  1  0.8  0.28  0.38  1.0
  Re  Re1  1  0.79  0.28  0.04  1.0
  Cl  Cl0  1  0.64  0.0  0.46  1.0

data_Ta2ReCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.56
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   95.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2ReCl
_chemical_formula_sum   'Ta2 Re1 Cl1'
_cell_volume   68.11
_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  0.8  0.28  0.38  1.0
  Ta  Ta1  1  0.85  0.0  0.15  1.0
  Re  Re2  1  0.79  0.28  0.04  1.0
  Cl  Cl3  1  0.64  0.0  0.46  1.0

Ta Ta Re Cl