data_BeVBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   9.18
_cell_angle_alpha   98.78
_cell_angle_beta   98.78
_cell_angle_gamma   59.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeVBr2
_chemical_formula_sum   'Be1 V1 Br2'
_cell_volume   110.33
_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  0.0  1.0
  V  V3  1  0.47  0.0  0.52  1.0
  Br  Br1  1  0.64  0.0  0.04  1.0
  Br  Br2  1  0.3  0.0  1.0  1.0

data_BeVBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   3.77
_cell_length_c   9.18
_cell_angle_alpha   98.78
_cell_angle_beta   90.0
_cell_angle_gamma   119.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeVBr2
_chemical_formula_sum   'Be1 V1 Br2'
_cell_volume   110.33
_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  0.0  1.0
  V  V1  1  0.0  0.53  0.48  1.0
  Br  Br2  1  0.0  0.36  0.96  1.0
  Br  Br3  1  0.0  0.7  0.0  1.0

Be V Br Br