data_Mn2TcMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.5
_cell_angle_alpha   100.6
_cell_angle_beta   100.6
_cell_angle_gamma   33.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2TcMo
_chemical_formula_sum   'Mn2 Tc1 Mo1'
_cell_volume   52.64
_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
  Mn  Mn0  1  0.2  0.0  0.41  1.0
  Mn  Mn1  1  0.3  0.0  0.06  1.0
  Tc  Tc3  1  0.67  0.0  0.44  1.0
  Mo  Mo2  1  0.96  0.0  0.12  1.0

data_Mn2TcMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.5
_cell_length_c   4.63
_cell_angle_alpha   100.6
_cell_angle_beta   106.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2TcMo
_chemical_formula_sum   'Mn2 Tc1 Mo1'
_cell_volume   52.64
_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
  Mn  Mn0  1  0.0  0.06  0.3  1.0
  Mn  Mn1  1  0.0  0.41  0.2  1.0
  Tc  Tc2  1  0.0  0.44  0.67  1.0
  Mo  Mo3  1  0.0  0.12  0.96  1.0

Mn Mn Tc Mo