data_TaReAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   4.76
_cell_angle_alpha   141.99
_cell_angle_beta   131.32
_cell_angle_gamma   63.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaReAs
_chemical_formula_sum   'Ta1 Re1 As1'
_cell_volume   49.31
_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  0.0  0.66  1.0
  Re  Re1  1  0.0  0.0  0.44  1.0
  As  As0  1  0.0  0.0  0.01  1.0

data_TaReAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.92
_cell_length_c   4.76
_cell_angle_alpha   114.34
_cell_angle_beta   109.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaReAs
_chemical_formula_sum   'Ta1 Re1 As1'
_cell_volume   49.31
_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  0.34  0.34  0.34  1.0
  Re  Re1  1  0.56  0.56  0.56  1.0
  As  As2  1  0.99  0.99  0.99  1.0

Ta Re As
Ta Re As 0 1 o o o 0 2 o o + 