data_MgTcB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   4.17
_cell_angle_alpha   132.65
_cell_angle_beta   125.99
_cell_angle_gamma   74.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTcB2
_chemical_formula_sum   'Mg1 Tc1 B2'
_cell_volume   41.93
_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
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.31  1.0
  B  B0  1  0.67  0.0  0.68  1.0
  B  B1  1  0.0  0.89  0.63  1.0

data_MgTcB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.78
_cell_length_c   4.17
_cell_angle_alpha   117.01
_cell_angle_beta   113.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTcB2
_chemical_formula_sum   'Mg1 Tc1 B2'
_cell_volume   41.93
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.69  0.69  0.69  1.0
  B  B2  1  0.37  0.26  0.26  1.0
  B  B3  1  0.99  0.32  0.99  1.0

Mg Tc B B