data_LaTcAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.35
_cell_length_b   7.35
_cell_length_c   7.35
_cell_angle_alpha   153.88
_cell_angle_beta   150.64
_cell_angle_gamma   39.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTcAs2
_chemical_formula_sum   'La1 Tc1 As2'
_cell_volume   85.38
_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  La2  1  0.0  0.86  0.69  1.0
  Tc  Tc3  1  0.0  0.0  1.0  1.0
  As  As0  1  0.0  0.86  0.95  1.0
  As  As1  1  0.0  0.0  0.09  1.0

data_LaTcAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   3.72
_cell_length_c   7.35
_cell_angle_alpha   104.68
_cell_angle_beta   103.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTcAs2
_chemical_formula_sum   'La1 Tc1 As2'
_cell_volume   85.38
_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  0.14  0.83  0.83  1.0
  Tc  Tc1  1  0.0  1.0  1.0  1.0
  As  As2  1  0.0  0.09  0.09  1.0
  As  As3  1  0.14  0.08  0.08  1.0

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