data_MnBeBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   3.6
_cell_angle_alpha   108.77
_cell_angle_beta   108.77
_cell_angle_gamma   96.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBeBr2
_chemical_formula_sum   'Mn1 Be1 Br2'
_cell_volume   85.44
_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
  Mn  Mn3  1  0.47  0.0  0.0  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.74  0.95  0.0  1.0
  Br  Br2  1  0.74  0.05  0.0  1.0

data_MnBeBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   96.6
_cell_angle_beta   108.77
_cell_angle_gamma   108.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBeBr2
_chemical_formula_sum   'Mn1 Be1 Br2'
_cell_volume   85.44
_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
  Mn  Mn0  1  -0.0  0.47  0.0  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  -0.0  0.74  0.95  1.0
  Br  Br3  1  -0.0  0.74  0.05  1.0

Mn Be Br Br