data_BeFeSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   6.58
_cell_angle_alpha   107.39
_cell_angle_beta   107.39
_cell_angle_gamma   59.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFeSb2
_chemical_formula_sum   'Be1 Fe1 Sb2'
_cell_volume   75.12
_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  0.13  0.0  0.34  1.0
  Fe  Fe1  1  0.29  0.0  0.3  1.0
  Sb  Sb2  1  0.95  0.0  0.7  1.0
  Sb  Sb3  1  0.96  0.0  0.92  1.0

data_BeFeSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   3.75
_cell_length_c   6.53
_cell_angle_alpha   74.17
_cell_angle_beta   73.34
_cell_angle_gamma   60.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFeSb2
_chemical_formula_sum   'Be1 Fe1 Sb2'
_cell_volume   75.12
_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  0.78  0.34  1.0
  Fe  Fe1  1  0.0  0.99  0.3  1.0
  Sb  Sb2  1  0.0  0.04  0.92  1.0
  Sb  Sb3  1  0.0  0.26  0.7  1.0

Be Fe Sb Sb