data_Ta2CoTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CoTe
_chemical_formula_sum   'Ta2 Co1 Te1'
_cell_volume   69.01
_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
  Ta  Ta1  1  0.14  0.0  0.56  1.0
  Ta  Ta2  1  0.14  0.0  0.66  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.61  1.0

data_Ta2CoTe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ta2CoTe
_chemical_formula_sum   'Ta2 Co1 Te1'
_cell_volume   69.06
_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
  Ta  Ta0  1  0.14  0.0  0.56  1.0
  Ta  Ta1  1  0.14  0.0  0.66  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.61  1.0

Ta Ta Co Te
Ta Ta Co Te 0 3 o o o 0 2 o o + 1 3 o o o 1 2 o o + 2 2 o + o 2 2 + o o 2 3 o o - 