data_BeTcNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   148.64
_cell_angle_beta   129.06
_cell_angle_gamma   61.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTcNi2
_chemical_formula_sum   'Be1 Tc1 Ni2'
_cell_volume   44.4
_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  0.32  1.0
  Tc  Tc3  1  0.0  0.07  0.18  1.0
  Ni  Ni1  1  0.0  0.07  0.88  1.0
  Ni  Ni2  1  0.0  0.0  0.04  1.0

data_BeTcNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   4.13
_cell_length_c   4.8
_cell_angle_alpha   115.47
_cell_angle_beta   105.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTcNi2
_chemical_formula_sum   'Be1 Tc1 Ni2'
_cell_volume   44.4
_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  0.68  0.68  0.68  1.0
  Tc  Tc1  1  0.82  0.88  0.88  1.0
  Ni  Ni2  1  0.12  0.19  0.19  1.0
  Ni  Ni3  1  0.96  0.96  0.96  1.0

Be Tc Ni Ni
Be Tc Ni Ni 0 1 o o o 1 3 o o o 2 3 o o + 