data_YCd2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87
_cell_length_b   6.87
_cell_length_c   6.87
_cell_angle_alpha   150.98
_cell_angle_beta   138.29
_cell_angle_gamma   51.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCd2Br
_chemical_formula_sum   'Y1 Cd2 Br1'
_cell_volume   104.27
_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  0.0  0.0  0.19  1.0
  Cd  Cd1  1  0.72  0.0  0.38  1.0
  Cd  Cd2  1  0.0  0.45  0.81  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_YCd2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.89
_cell_length_c   6.87
_cell_angle_alpha   110.85
_cell_angle_beta   104.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCd2Br
_chemical_formula_sum   'Y1 Cd2 Br1'
_cell_volume   104.27
_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  0.81  0.81  0.81  1.0
  Cd  Cd1  1  0.19  0.64  0.64  1.0
  Cd  Cd2  1  0.34  0.62  0.34  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Y Cd Cd Br