data_NaCoRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62
_cell_length_b   7.45
_cell_length_c   2.64
_cell_angle_alpha   83.62
_cell_angle_beta   76.27
_cell_angle_gamma   20.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCoRe
_chemical_formula_sum   'Na1 Co1 Re1'
_cell_volume   47.06
_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  Na1  1  0.48  0.18  0.65  1.0
  Co  Co0  1  0.48  0.18  0.38  1.0
  Re  Re2  1  0.48  0.18  0.17  1.0

data_NaCoRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.95
_cell_length_b   14.6
_cell_length_c   2.64
_cell_angle_alpha   90.0
_cell_angle_beta   124.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaCoRe
_chemical_formula_sum   'Na2 Co2 Re2'
_cell_volume   94.11
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.15  0.5  0.13  1.0
  Co  Co1  2  0.38  0.0  0.86  1.0
  Re  Re2  2  0.17  0.0  0.64  1.0

Na Co Re
Na Co Re 0 1 o o o 1 2 o o o 