data_NaCr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   4.45
_cell_angle_alpha   104.04
_cell_angle_beta   104.04
_cell_angle_gamma   120.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCr4
_chemical_formula_sum   'Na1 Cr4'
_cell_volume   65.72
_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  Na4  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.37  0.11  0.0  1.0
  Cr  Cr1  1  0.11  0.11  0.0  1.0
  Cr  Cr2  1  0.37  0.62  0.19  1.0
  Cr  Cr3  1  0.62  0.63  0.19  1.0

data_NaCr4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   4.45
_cell_length_c   4.45
_cell_angle_alpha   75.96
_cell_angle_beta   60.49
_cell_angle_gamma   60.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCr4
_chemical_formula_sum   'Na1 Cr4'
_cell_volume   65.72
_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
  Cr  Cr1  1  0.11  0.01  0.0  1.0
  Cr  Cr2  1  0.11  0.25  0.0  1.0
  Cr  Cr3  1  0.62  0.75  0.81  1.0
  Cr  Cr4  1  0.63  0.99  0.81  1.0

Na Cr Cr Cr Cr
Na Cr Cr Cr Cr 0 2 o o o 1 2 o o o 3 4 o o o 