data_BeNiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   142.11
_cell_angle_beta   142.11
_cell_angle_gamma   54.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNiSb2
_chemical_formula_sum   'Be1 Ni1 Sb2'
_cell_volume   73.07
_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
  Ni  Ni1  1  0.88  0.0  0.58  1.0
  Sb  Sb2  1  0.0  0.0  0.15  1.0
  Sb  Sb3  1  0.0  0.88  0.58  1.0

data_BeNiSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   5.8
_cell_angle_alpha   108.95
_cell_angle_beta   108.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNiSb2
_chemical_formula_sum   'Be1 Ni1 Sb2'
_cell_volume   73.07
_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
  Ni  Ni1  1  0.58  0.69  0.69  1.0
  Sb  Sb2  1  0.15  0.15  0.15  1.0
  Sb  Sb3  1  0.69  0.58  0.69  1.0

Be Ni Sb Sb