data_NaCr2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   4.25
_cell_length_c   4.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCr2Re
_chemical_formula_sum   'Na1 Cr2 Re1'
_cell_volume   56.76
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.5  0.13  0.0  1.0
  Cr  Cr1  1  0.0  0.13  0.23  1.0
  Re  Re3  1  0.5  0.0  0.23  1.0

data_NaCr2Re
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.25
_cell_length_b   3.0
_cell_length_c   4.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NaCr2Re
_chemical_formula_sum   'Na1 Cr2 Re1'
_cell_volume   56.76
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.13  0.0  0.23  1.0
  Cr  Cr2  1  0.13  0.5  -0.0  1.0
  Re  Re3  1  0.0  0.5  0.23  1.0

Na Cr Cr Re
Na Cr Cr Re 0 2 o o o 1 3 o o o 