data_Tc2BAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   141.91
_cell_angle_beta   118.54
_cell_angle_gamma   74.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2BAs
_chemical_formula_sum   'Tc2 B1 As1'
_cell_volume   52.42
_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
  Tc  Tc2  1  0.51  0.0  0.47  1.0
  Tc  Tc3  1  0.0  0.36  0.21  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.68  1.0

data_Tc2BAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   61.46
_cell_angle_beta   70.96
_cell_angle_gamma   70.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2BAs
_chemical_formula_sum   'Tc2 B1 As1'
_cell_volume   52.42
_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
  Tc  Tc0  1  0.0  0.49  0.47  1.0
  Tc  Tc1  1  0.36  0.0  0.85  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.0  0.0  0.68  1.0

Tc Tc B As