data_MgCr2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   136.35
_cell_angle_beta   136.35
_cell_angle_gamma   63.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCr2Tc
_chemical_formula_sum   'Mg1 Cr2 Tc1'
_cell_volume   54.63
_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  Mg2  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.15  1.0
  Cr  Cr1  1  0.0  0.81  0.08  1.0
  Tc  Tc3  1  0.81  0.0  0.08  1.0

data_MgCr2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   4.88
_cell_angle_alpha   111.83
_cell_angle_beta   111.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCr2Tc
_chemical_formula_sum   'Mg1 Cr2 Tc1'
_cell_volume   54.63
_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
  Cr  Cr1  1  0.15  0.15  0.15  1.0
  Cr  Cr2  1  0.26  0.08  0.26  1.0
  Tc  Tc3  1  0.08  0.26  0.26  1.0

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