data_BaRe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   6.27
_cell_angle_alpha   115.32
_cell_angle_beta   115.32
_cell_angle_gamma   35.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaRe2Te
_chemical_formula_sum   'Ba1 Re2 Te1'
_cell_volume   118.62
_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
  Ba  Ba0  1  0.32  0.0  0.8  1.0
  Re  Re1  1  0.66  0.0  0.2  1.0
  Re  Re2  1  0.97  0.0  0.4  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_BaRe2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   6.02
_cell_length_c   6.27
_cell_angle_alpha   115.32
_cell_angle_beta   90.0
_cell_angle_gamma   107.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaRe2Te
_chemical_formula_sum   'Ba1 Re2 Te1'
_cell_volume   118.62
_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
  Ba  Ba0  1  0.0  0.68  0.2  1.0
  Re  Re1  1  0.0  0.03  0.6  1.0
  Re  Re2  1  0.0  0.34  0.8  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

Ba Re Re Te