data_LaMn2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   3.97
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   101.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn2Tc
_chemical_formula_sum   'La1 Mn2 Tc1'
_cell_volume   69.52
_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
  La  La0  1  0.83  0.0  0.01  1.0
  Mn  Mn1  1  0.79  0.99  0.04  1.0
  Mn  Mn2  1  0.86  0.99  0.97  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

data_LaMn2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   3.97
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   101.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMn2Tc
_chemical_formula_sum   'La1 Mn2 Tc1'
_cell_volume   69.52
_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
  La  La0  1  0.83  0.0  0.01  1.0
  Mn  Mn1  1  0.79  0.99  0.04  1.0
  Mn  Mn2  1  0.86  0.99  0.97  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

La Mn Mn Tc
La Mn Mn Tc 0 1 o - o 0 2 o - - 2 3 + + + 