data_BeCuTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCuTc2
_chemical_formula_sum   'Be1 Cu1 Tc2'
_cell_volume   49.26
_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  0.25  1.0
  Cu  Cu1  1  0.9  0.0  0.94  1.0
  Tc  Tc2  1  0.0  0.0  0.66  1.0
  Tc  Tc3  1  0.9  0.0  0.81  1.0

data_BeCuTc2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.72
_cell_length_b   2.72
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BeCuTc2
_chemical_formula_sum   'Be1 Cu1 Tc2'
_cell_volume   49.28
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.25  1.0
  Tc  Tc1  1  0.0  0.0  0.66  1.0
  Tc  Tc2  1  0.9  0.0  0.81  1.0
  Cu  Cu3  1  0.9  0.0  0.94  1.0

Be Cu Tc Tc