data_BeTeBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.38
_cell_length_b   7.38
_cell_length_c   7.38
_cell_angle_alpha   153.48
_cell_angle_beta   134.76
_cell_angle_gamma   53.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTeBr2
_chemical_formula_sum   'Be1 Te1 Br2'
_cell_volume   127.05
_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  0.0  0.43  1.0
  Te  Te3  1  0.0  0.84  0.83  1.0
  Br  Br1  1  0.0  0.84  0.3  1.0
  Br  Br2  1  0.0  0.0  0.25  1.0

data_BeTeBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   5.68
_cell_length_c   7.38
_cell_angle_alpha   112.62
_cell_angle_beta   103.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTeBr2
_chemical_formula_sum   'Be1 Te1 Br2'
_cell_volume   127.05
_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  0.43  0.43  1.0
  Te  Te1  1  0.16  0.99  0.99  1.0
  Br  Br2  1  0.0  0.25  0.25  1.0
  Br  Br3  1  0.16  0.46  0.46  1.0

Be Te Br Br