data_Y2MgBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76
_cell_length_b   6.76
_cell_length_c   5.42
_cell_angle_alpha   113.34
_cell_angle_beta   113.34
_cell_angle_gamma   29.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MgBr
_chemical_formula_sum   'Y2 Mg1 Br1'
_cell_volume   112.89
_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  0.24  0.0  0.13  1.0
  Y  Y3  1  0.52  0.0  0.31  1.0
  Mg  Mg1  1  0.37  0.0  0.56  1.0
  Br  Br0  1  0.15  0.0  0.4  1.0

data_Y2MgBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.42
_cell_length_c   6.76
_cell_angle_alpha   113.34
_cell_angle_beta   104.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MgBr
_chemical_formula_sum   'Y2 Mg1 Br1'
_cell_volume   112.89
_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  0.13  0.24  1.0
  Y  Y1  1  0.0  0.31  0.52  1.0
  Mg  Mg2  1  0.0  0.56  0.37  1.0
  Br  Br3  1  0.0  0.4  0.15  1.0

Y Y Mg Br