data_NaCr2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   3.67
_cell_length_c   6.45
_cell_angle_alpha   90.0
_cell_angle_beta   98.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCr2P
_chemical_formula_sum   'Na1 Cr2 P1'
_cell_volume   68.92
_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  0.97  0.0  0.32  1.0
  Cr  Cr0  1  0.48  0.0  0.37  1.0
  Cr  Cr1  1  0.97  0.83  0.64  1.0
  P  P3  1  0.49  0.83  0.23  1.0

data_NaCr2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   3.67
_cell_length_c   6.45
_cell_angle_alpha   90.0
_cell_angle_beta   98.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCr2P
_chemical_formula_sum   'Na1 Cr2 P1'
_cell_volume   68.92
_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  0.97  0.0  0.32  1.0
  Cr  Cr1  1  0.48  0.0  0.37  1.0
  Cr  Cr2  1  0.97  0.83  0.64  1.0
  P  P3  1  0.49  0.83  0.23  1.0

Na Cr Cr P
Na Cr Cr P 0 3 o - o 0 1 o o o 0 1 + o o 0 2 o - o 1 3 o - o 1 2 o - o 1 2 - - o 