data_Re2TeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   129.14
_cell_angle_beta   129.14
_cell_angle_gamma   74.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2TeAs
_chemical_formula_sum   'Re2 Te1 As1'
_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
  Re  Re1  1  0.1  0.0  0.95  1.0
  Re  Re2  1  0.0  0.0  0.89  1.0
  Te  Te3  1  0.0  0.1  0.95  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Re2TeAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   4.9
_cell_angle_alpha   115.43
_cell_angle_beta   115.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re2TeAs
_chemical_formula_sum   'Re2 Te1 As1'
_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
  Re  Re0  1  0.89  0.89  0.89  1.0
  Re  Re1  1  0.95  0.84  0.84  1.0
  Te  Te2  1  0.84  0.95  0.84  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Re Re Te As
Re Re Te As 0 1 o o o 1 2 o o o 1 3 o o + 