data_Mg2TcSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   135.87
_cell_angle_beta   135.87
_cell_angle_gamma   64.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TcSe
_chemical_formula_sum   'Mg2 Tc1 Se1'
_cell_volume   69.7
_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
  Mg  Mg1  1  0.98  0.0  0.23  1.0
  Tc  Tc3  1  0.0  0.98  0.23  1.0
  Se  Se2  1  0.0  0.0  0.46  1.0

data_Mg2TcSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   5.26
_cell_angle_alpha   112.06
_cell_angle_beta   112.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TcSe
_chemical_formula_sum   'Mg2 Tc1 Se1'
_cell_volume   69.7
_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
  Mg  Mg1  1  0.77  0.0  0.75  1.0
  Tc  Tc2  1  0.75  0.98  0.75  1.0
  Se  Se3  1  0.54  0.0  0.54  1.0

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