data_Y2CuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   6.56
_cell_angle_alpha   143.51
_cell_angle_beta   143.51
_cell_angle_gamma   52.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CuBr
_chemical_formula_sum   'Y2 Cu1 Br1'
_cell_volume   99.04
_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  Y2  1  0.05  0.0  0.94  1.0
  Y  Y3  1  0.0  0.0  0.88  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.05  0.94  1.0

data_Y2CuBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   6.56
_cell_angle_alpha   108.24
_cell_angle_beta   108.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CuBr
_chemical_formula_sum   'Y2 Cu1 Br1'
_cell_volume   99.04
_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  0.88  0.88  0.88  1.0
  Y  Y1  1  0.94  0.89  0.89  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.89  0.94  0.89  1.0

Y Y Cu Br