data_BeGaSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03
_cell_length_b   7.03
_cell_length_c   7.03
_cell_angle_alpha   31.77
_cell_angle_beta   31.77
_cell_angle_gamma   31.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGaSb2
_chemical_formula_sum   'Be1 Ga1 Sb2'
_cell_volume   85.47
_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
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.0  0.73  1.0
  Sb  Sb3  1  0.0  0.0  0.27  1.0

data_BeGaSb2
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   6.66
_cell_length_b   3.85
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   108.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   BeGaSb2
_chemical_formula_sum   'Be2 Ga2 Sb4'
_cell_volume   170.93
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ga  Ga1  2  0.0  0.0  0.0  1.0
  Sb  Sb2  4  0.0  0.0  0.27  1.0

Be Ga Sb Sb 0 1 o o o 0 2 o o - 0 3 o o o 1 2 o o - 1 3 o o o 