data_MgRe2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.37
_cell_length_b   9.37
_cell_length_c   9.37
_cell_angle_alpha   17.12
_cell_angle_beta   17.12
_cell_angle_gamma   17.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRe2Tc
_chemical_formula_sum   'Mg1 Re2 Tc1'
_cell_volume   62.2
_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
  Re  Re1  1  0.0  0.0  0.89  1.0
  Re  Re2  1  0.0  0.0  0.8  1.0
  Tc  Tc3  1  0.0  0.0  0.85  1.0

data_MgRe2Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.83
_cell_length_b   2.79
_cell_length_c   9.37
_cell_angle_alpha   90.0
_cell_angle_beta   99.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgRe2Tc
_chemical_formula_sum   'Mg2 Re4 Tc2'
_cell_volume   124.4
_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
  Re  Re1  2  0.0  0.0  0.11  1.0
  Tc  Tc2  2  0.0  0.0  0.15  1.0
  Re  Re3  2  0.0  0.0  0.2  1.0

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