data_BeNiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   6.59
_cell_angle_alpha   109.05
_cell_angle_beta   109.05
_cell_angle_gamma   59.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNiSb2
_chemical_formula_sum   'Be1 Ni1 Sb2'
_cell_volume   78.01
_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  0.12  0.0  0.3  1.0
  Ni  Ni1  1  0.35  0.0  0.27  1.0
  Sb  Sb2  1  0.89  0.0  0.73  1.0
  Sb  Sb3  1  0.92  0.0  0.85  1.0

data_BeNiSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.85
_cell_length_c   6.45
_cell_angle_alpha   74.76
_cell_angle_beta   72.73
_cell_angle_gamma   60.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNiSb2
_chemical_formula_sum   'Be1 Ni1 Sb2'
_cell_volume   78.01
_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  0.82  0.3  1.0
  Ni  Ni1  1  0.0  0.08  0.27  1.0
  Sb  Sb2  1  0.0  0.07  0.85  1.0
  Sb  Sb3  1  0.0  0.16  0.73  1.0

Be Ni Sb Sb
Be Ni Sb Sb 0 1 o o o 2 3 o o o 