data_BeNiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   4.35
_cell_angle_alpha   132.37
_cell_angle_beta   132.37
_cell_angle_gamma   69.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNiSb
_chemical_formula_sum   'Be1 Ni1 Sb1'
_cell_volume   44.1
_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  0.05  1.0
  Ni  Ni1  1  0.0  0.0  0.29  1.0
  Sb  Sb2  1  0.0  0.0  0.8  1.0

data_BeNiSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.35
_cell_angle_alpha   90.0
_cell_angle_beta   124.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeNiSb
_chemical_formula_sum   'Be2 Ni2 Sb2'
_cell_volume   88.2
_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+1/2, y+1/2, z'
  4  '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  0.05  1.0
  Ni  Ni1  2  0.0  0.0  0.29  1.0
  Sb  Sb2  2  0.0  0.0  0.8  1.0

Be Ni Sb
Be Ni Sb 0 2 o o - 0 1 o o o 