data_Na2ReP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   4.31
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   98.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ReP
_chemical_formula_sum   'Na2 Re1 P1'
_cell_volume   73.18
_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  0.7  0.0  0.15  1.0
  Na  Na1  1  0.76  0.15  0.69  1.0
  Re  Re3  1  0.3  0.15  0.44  1.0
  P  P2  1  0.53  0.0  0.42  1.0

data_Na2ReP
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.31
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   98.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ReP
_chemical_formula_sum   'Na2 Re1 P1'
_cell_volume   73.18
_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  0.7  0.0  0.15  1.0
  Na  Na1  1  0.76  0.15  0.69  1.0
  Re  Re2  1  0.3  0.15  0.44  1.0
  P  P3  1  0.53  0.0  0.42  1.0

Na Na Re P
Na Na Re P 0 3 o o o 1 3 o o o 1 2 o o o 2 3 o o o 