data_BeTcIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   144.92
_cell_angle_beta   134.42
_cell_angle_gamma   58.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTcIr
_chemical_formula_sum   'Be1 Tc1 Ir1'
_cell_volume   38.4
_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  0.03  1.0
  Tc  Tc2  1  0.0  0.0  0.67  1.0
  Ir  Ir1  1  0.0  0.0  0.23  1.0

data_BeTcIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   3.53
_cell_length_c   4.55
_cell_angle_alpha   112.79
_cell_angle_beta   107.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTcIr
_chemical_formula_sum   'Be1 Tc1 Ir1'
_cell_volume   38.4
_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  0.97  0.97  0.97  1.0
  Tc  Tc1  1  0.33  0.33  0.33  1.0
  Ir  Ir2  1  0.77  0.77  0.77  1.0

Be Tc Ir
Be Tc Ir 0 2 o o o 0 1 o o - 