data_Be2AgBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.0
_cell_length_b   4.0
_cell_length_c   5.64
_cell_angle_alpha   90.47
_cell_angle_beta   90.47
_cell_angle_gamma   56.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AgBr
_chemical_formula_sum   'Be2 Ag1 Br1'
_cell_volume   75.04
_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
  Be  Be1  1  0.23  0.0  0.15  1.0
  Be  Be2  1  0.6  0.0  0.52  1.0
  Ag  Ag0  1  0.93  0.0  0.16  1.0
  Br  Br3  1  0.77  0.0  0.62  1.0

data_Be2AgBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   4.0
_cell_length_c   5.64
_cell_angle_alpha   90.47
_cell_angle_beta   90.0
_cell_angle_gamma   118.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AgBr
_chemical_formula_sum   'Be2 Ag1 Br1'
_cell_volume   75.04
_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
  Be  Be0  1  0.0  0.4  0.48  1.0
  Be  Be1  1  0.0  0.77  0.85  1.0
  Ag  Ag2  1  0.0  0.07  0.84  1.0
  Br  Br3  1  0.0  0.23  0.38  1.0

Be Be Ag Br