data_La2BeBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   34.98
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2BeBr
_chemical_formula_sum   'La2 Be1 Br1'
_cell_volume   106.85
_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
  La  La2  1  0.49  0.0  0.66  1.0
  La  La3  1  0.0  0.0  0.71  1.0
  Be  Be0  1  0.0  0.0  0.8  1.0
  Br  Br1  1  0.49  0.0  0.03  1.0

data_La2BeBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   4.97
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   107.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2BeBr
_chemical_formula_sum   'La2 Be1 Br1'
_cell_volume   106.85
_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
  La  La0  1  0.29  0.0  0.29  1.0
  La  La1  1  0.34  0.49  0.34  1.0
  Be  Be2  1  0.2  0.0  0.2  1.0
  Br  Br3  1  0.97  0.49  0.97  1.0

La La Be Br