data_MgTcSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   5.66
_cell_angle_alpha   99.77
_cell_angle_beta   99.77
_cell_angle_gamma   43.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTcSb2
_chemical_formula_sum   'Mg1 Tc1 Sb2'
_cell_volume   83.92
_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  Tc3  1  0.84  0.0  0.78  1.0
  Sb  Sb1  1  0.28  0.0  0.01  1.0
  Sb  Sb2  1  0.41  0.0  0.56  1.0

data_MgTcSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.69
_cell_length_c   5.66
_cell_angle_alpha   99.77
_cell_angle_beta   90.0
_cell_angle_gamma   111.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTcSb2
_chemical_formula_sum   'Mg1 Tc1 Sb2'
_cell_volume   83.92
_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  0.0  0.16  0.22  1.0
  Sb  Sb2  1  0.0  0.59  0.44  1.0
  Sb  Sb3  1  0.0  0.72  0.99  1.0

Mg Tc Sb Sb
Mg Tc Sb Sb 0 1 - o - 0 2 o o o 1 3 o o o 