data_MgTcOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   145.89
_cell_angle_beta   129.49
_cell_angle_gamma   62.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTcOs2
_chemical_formula_sum   'Mg1 Tc1 Os2'
_cell_volume   58.81
_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  0.62  1.0
  Tc  Tc3  1  0.51  0.0  0.4  1.0
  Os  Os1  1  0.51  0.0  0.0  1.0
  Os  Os2  1  0.0  0.0  0.22  1.0

data_MgTcOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.4
_cell_length_c   5.16
_cell_angle_alpha   115.25
_cell_angle_beta   107.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTcOs2
_chemical_formula_sum   'Mg1 Tc1 Os2'
_cell_volume   58.81
_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  0.62  0.62  1.0
  Tc  Tc1  1  0.0  0.4  0.88  1.0
  Os  Os2  1  0.0  0.0  0.49  1.0
  Os  Os3  1  0.0  0.22  0.22  1.0

Mg Tc Os Os
Mg Tc Os Os 0 1 - o o 0 3 o o o 0 2 o o + 1 3 o o o 1 2 o o o 2 3 + o o 