data_FeReTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   6.79
_cell_angle_alpha   105.43
_cell_angle_beta   105.43
_cell_angle_gamma   58.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeReTe2
_chemical_formula_sum   'Fe1 Re1 Te2'
_cell_volume   87.27
_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
  Fe  Fe0  1  0.45  0.0  0.81  1.0
  Re  Re1  1  0.73  0.0  0.21  1.0
  Te  Te2  1  0.01  0.0  0.54  1.0
  Te  Te3  1  0.16  0.0  0.14  1.0

data_FeReTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   3.99
_cell_length_c   6.79
_cell_angle_alpha   105.43
_cell_angle_beta   90.0
_cell_angle_gamma   119.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeReTe2
_chemical_formula_sum   'Fe1 Re1 Te2'
_cell_volume   87.27
_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
  Fe  Fe0  1  0.0  0.55  0.19  1.0
  Re  Re1  1  0.0  0.27  0.79  1.0
  Te  Te2  1  0.0  0.84  0.86  1.0
  Te  Te3  1  0.0  0.99  0.46  1.0

Fe Re Te Te