data_MgCuTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   131.51
_cell_angle_beta   127.39
_cell_angle_gamma   74.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCuTc2
_chemical_formula_sum   'Mg1 Cu1 Tc2'
_cell_volume   57.31
_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  Mg1  1  0.0  0.0  0.93  1.0
  Cu  Cu0  1  0.9  0.0  0.59  1.0
  Tc  Tc2  1  0.0  0.05  0.67  1.0
  Tc  Tc3  1  0.0  0.0  0.55  1.0

data_MgCuTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   4.1
_cell_length_c   4.62
_cell_angle_alpha   116.3
_cell_angle_beta   114.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCuTc2
_chemical_formula_sum   'Mg1 Cu1 Tc2'
_cell_volume   57.31
_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  0.93  0.93  1.0
  Tc  Tc1  1  0.0  0.55  0.55  1.0
  Cu  Cu2  1  0.0  0.59  0.69  1.0
  Tc  Tc3  1  0.95  0.62  0.62  1.0

Mg Cu Tc Tc