data_MgTcSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82
_cell_length_b   6.82
_cell_length_c   6.82
_cell_angle_alpha   31.44
_cell_angle_beta   31.44
_cell_angle_gamma   31.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTcSe2
_chemical_formula_sum   'Mg1 Tc1 Se2'
_cell_volume   76.71
_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  0.72  1.0
  Se  Se1  1  0.0  0.0  0.74  1.0
  Se  Se2  1  0.0  0.0  0.71  1.0

data_MgTcSe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.4
_cell_length_b   3.7
_cell_length_c   6.82
_cell_angle_alpha   90.0
_cell_angle_beta   108.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgTcSe2
_chemical_formula_sum   'Mg2 Tc2 Se4'
_cell_volume   153.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.0  0.0  0.28  1.0
  Se  Se2  2  0.0  0.0  0.26  1.0
  Se  Se3  2  0.0  0.0  0.29  1.0

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