data_TaCr2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   141.44
_cell_angle_beta   133.55
_cell_angle_gamma   61.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCr2Te
_chemical_formula_sum   'Ta1 Cr2 Te1'
_cell_volume   64.03
_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  Ta2  1  0.0  0.06  0.45  1.0
  Cr  Cr0  1  0.0  0.06  0.05  1.0
  Cr  Cr1  1  0.0  0.0  0.66  1.0
  Te  Te3  1  0.0  0.0  0.3  1.0

data_TaCr2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.13
_cell_length_c   5.23
_cell_angle_alpha   113.23
_cell_angle_beta   109.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCr2Te
_chemical_formula_sum   'Ta1 Cr2 Te1'
_cell_volume   64.03
_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  0.94  0.39  0.39  1.0
  Cr  Cr1  1  0.0  0.66  0.66  1.0
  Cr  Cr2  1  0.94  0.99  0.99  1.0
  Te  Te3  1  0.0  0.3  0.3  1.0

Ta Cr Cr Te
Ta Cr Cr Te 0 3 o o o 0 2 o o o 1 2 o o - 1 3 o o o 