data_TaMnTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMnTe
_chemical_formula_sum   'Ta1 Mn1 Te1'
_cell_volume   55.19
_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
  Ta  Ta1  1  0.61  0.93  0.78  1.0
  Mn  Mn0  1  0.0  0.0  0.17  1.0
  Te  Te2  1  0.0  0.86  0.19  1.0

data_TaMnTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMnTe
_chemical_formula_sum   'Ta1 Mn1 Te1'
_cell_volume   55.19
_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
  Ta  Ta0  1  0.61  0.93  0.78  1.0
  Mn  Mn1  1  0.0  0.0  0.17  1.0
  Te  Te2  1  -0.0  0.86  0.19  1.0

Ta Mn Te
Ta Mn Te 0 1 o o + 0 1 o + + 0 1 + + + 0 2 o o + 0 2 + + + 0 2 + o + 0 0 + + o 0 0 o + o 0 0 + o o 1 2 o - o 