data_La2TcNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TcNi
_chemical_formula_sum   'La2 Tc1 Ni1'
_cell_volume   95.73
_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  0.64  1.0
  La  La1  1  0.38  0.0  0.32  1.0
  Tc  Tc3  1  0.38  0.0  0.7  1.0
  Ni  Ni2  1  0.0  0.0  0.53  1.0

data_La2TcNi
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   La2TcNi
_chemical_formula_sum   'La2 Tc1 Ni1'
_cell_volume   95.8
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.64  1.0
  La  La1  1  0.38  0.0  0.32  1.0
  Tc  Tc2  1  0.38  0.0  0.7  1.0
  Ni  Ni3  1  0.0  0.0  0.53  1.0

La La Tc Ni
La La Tc Ni 0 3 o o o 0 2 o o o 1 3 o o o 