data_MgTc2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   124.36
_cell_angle_beta   124.36
_cell_angle_gamma   82.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTc2Se
_chemical_formula_sum   'Mg1 Tc2 Se1'
_cell_volume   63.39
_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  Tc2  1  0.0  0.0  0.45  1.0
  Tc  Tc3  1  0.0  0.14  0.72  1.0
  Se  Se1  1  0.14  0.0  0.72  1.0

data_MgTc2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.29
_cell_length_c   4.59
_cell_angle_alpha   117.82
_cell_angle_beta   117.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTc2Se
_chemical_formula_sum   'Mg1 Tc2 Se1'
_cell_volume   63.39
_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  0.45  0.45  0.45  1.0
  Tc  Tc2  1  0.58  0.72  0.58  1.0
  Se  Se3  1  0.72  0.58  0.58  1.0

Mg Tc Tc Se