data_YTa2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   4.72
_cell_angle_alpha   103.12
_cell_angle_beta   103.12
_cell_angle_gamma   31.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2Br
_chemical_formula_sum   'Y1 Ta2 Br1'
_cell_volume   86.06
_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
  Y  Y3  1  0.19  0.0  0.29  1.0
  Ta  Ta1  1  0.24  0.0  0.14  1.0
  Ta  Ta2  1  0.14  0.0  0.44  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_YTa2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.72
_cell_length_c   5.98
_cell_angle_alpha   103.12
_cell_angle_beta   105.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2Br
_chemical_formula_sum   'Y1 Ta2 Br1'
_cell_volume   86.06
_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
  Y  Y0  1  0.0  0.29  0.19  1.0
  Ta  Ta1  1  0.0  0.14  0.24  1.0
  Ta  Ta2  1  0.0  0.44  0.14  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Y Ta Ta Br