data_NaRe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   2.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   123.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRe2As
_chemical_formula_sum   'Na1 Re2 As1'
_cell_volume   67.57
_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  0.0  0.0  0.0  1.0
  Re  Re2  1  0.32  0.45  0.31  1.0
  Re  Re3  1  0.32  0.55  0.31  1.0
  As  As0  1  0.64  0.0  0.0  1.0

data_NaRe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   5.28
_cell_length_c   5.56
_cell_angle_alpha   118.34
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaRe2As
_chemical_formula_sum   'Na1 Re2 As1'
_cell_volume   67.57
_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  Na0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.31  0.45  0.77  1.0
  Re  Re2  1  0.31  0.55  0.87  1.0
  As  As3  1  0.0  0.0  0.64  1.0

Na Re Re As