data_LaTa2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.5
_cell_length_b   9.5
_cell_length_c   9.5
_cell_angle_alpha   18.97
_cell_angle_beta   18.97
_cell_angle_gamma   18.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTa2Co
_chemical_formula_sum   'La1 Ta2 Co1'
_cell_volume   79.19
_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  La1  1  0.0  0.0  0.22  1.0
  Ta  Ta2  1  0.0  0.0  0.65  1.0
  Ta  Ta3  1  0.0  0.0  0.72  1.0
  Co  Co0  1  0.0  0.0  0.36  1.0

data_LaTa2Co
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.42
_cell_length_b   3.13
_cell_length_c   9.5
_cell_angle_alpha   90.0
_cell_angle_beta   100.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaTa2Co
_chemical_formula_sum   'La2 Ta4 Co2'
_cell_volume   158.37
_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  0.78  1.0
  Ta  Ta1  2  0.0  0.0  0.28  1.0
  Ta  Ta2  2  0.0  0.0  0.35  1.0
  Co  Co3  2  0.0  0.0  0.64  1.0

La Ta Ta Co
La Ta Ta Co 0 3 o o o 1 2 o o o 