data_LaTc2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31
_cell_length_b   4.22
_cell_length_c   4.39
_cell_angle_alpha   90.0
_cell_angle_beta   97.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTc2P
_chemical_formula_sum   'La1 Tc2 P1'
_cell_volume   79.26
_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  0.88  0.0  0.18  1.0
  Tc  Tc2  1  0.16  0.11  0.31  1.0
  Tc  Tc3  1  0.6  0.11  0.05  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_LaTc2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.31
_cell_length_c   4.39
_cell_angle_alpha   97.22
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTc2P
_chemical_formula_sum   'La1 Tc2 P1'
_cell_volume   79.26
_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  0.12  0.82  1.0
  Tc  Tc1  1  0.89  0.4  0.95  1.0
  Tc  Tc2  1  0.89  0.84  0.69  1.0
  P  P3  1  0.0  0.0  0.0  1.0

La Tc Tc P
La Tc Tc P 0 3 + o o 0 1 + o o 0 2 o o o 1 3 o o o 