data_MgTcOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   146.75
_cell_angle_beta   128.53
_cell_angle_gamma   62.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTcOs2
_chemical_formula_sum   'Mg1 Tc1 Os2'
_cell_volume   59.02
_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  0.0  0.0  0.43  1.0
  Os  Os1  1  0.0  0.25  0.19  1.0
  Os  Os2  1  0.48  0.0  0.23  1.0

data_MgTcOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.5
_cell_length_c   5.18
_cell_angle_alpha   115.73
_cell_angle_beta   106.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTcOs2
_chemical_formula_sum   'Mg1 Tc1 Os2'
_cell_volume   59.02
_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  0.43  0.43  1.0
  Os  Os2  1  0.0  0.23  0.75  1.0
  Os  Os3  1  0.75  0.94  0.94  1.0

Mg Tc Os Os