data_Be2AgBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   3.13
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   91.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AgBr
_chemical_formula_sum   'Be2 Ag1 Br1'
_cell_volume   63.99
_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
  Be  Be1  1  0.89  0.56  0.19  1.0
  Be  Be2  1  0.24  0.56  0.96  1.0
  Ag  Ag0  1  0.56  0.0  0.07  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

data_Be2AgBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   3.33
_cell_length_c   6.15
_cell_angle_alpha   91.87
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AgBr
_chemical_formula_sum   'Be2 Ag1 Br1'
_cell_volume   63.99
_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
  Be  Be0  1  0.44  0.11  0.81  1.0
  Be  Be1  1  0.44  0.76  0.04  1.0
  Ag  Ag2  1  0.0  0.44  0.93  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Be Be Ag Br
Be Be Ag Br 0 2 o o o 0 2 o + o 0 3 + o o 0 3 + + o 0 1 + o - 1 3 o o + 1 3 o + + 1 2 o + + 2 3 o o o 2 3 + o o 