data_BeCoTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   2.69
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCoTc2
_chemical_formula_sum   'Be1 Co1 Tc2'
_cell_volume   47.45
_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
  Co  Co1  1  0.0  0.0  0.28  1.0
  Tc  Tc2  1  0.35  0.35  0.03  1.0
  Tc  Tc3  1  0.35  0.35  0.52  1.0

data_BeCoTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   6.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeCoTc2
_chemical_formula_sum   'Be2 Co2 Tc4'
_cell_volume   94.89
_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  0.0  1.0
  Co  Co1  2  0.0  0.0  0.28  1.0
  Tc  Tc2  2  0.35  0.0  0.03  1.0
  Tc  Tc3  2  0.35  0.0  0.52  1.0

Be Co Tc Tc
Be Co Tc Tc 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 1 3 o - o 1 3 - o o 3 3 + o o 3 3 o + o 