data_La(TcMo)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   137.74
_cell_angle_beta   137.74
_cell_angle_gamma   61.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La(TcMo)2
_chemical_formula_sum   'La1 Tc2 Mo2'
_cell_volume   101.12
_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  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.0  0.0  0.56  1.0
  Tc  Tc4  1  0.0  0.0  0.92  1.0
  Mo  Mo1  1  0.0  0.2  0.62  1.0
  Mo  Mo2  1  0.2  0.0  0.62  1.0

data_La(TcMo)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   120.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La(TcMo)2
_chemical_formula_sum   'La2 Tc4 Mo4'
_cell_volume   202.24
_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
  La  La0  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.08  0.0  0.08  1.0
  Tc  Tc2  2  0.44  0.0  0.44  1.0
  Mo  Mo3  4  0.48  0.1  0.58  1.0

La Tc Tc Mo Mo
La Tc Tc Mo Mo 0 2 o o - 1 3 o o o 1 4 o o o 