data_Na2CrIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   6.24
_cell_angle_alpha   95.4
_cell_angle_beta   95.4
_cell_angle_gamma   32.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CrIn
_chemical_formula_sum   'Na2 Cr1 In1'
_cell_volume   87.41
_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  0.45  0.0  0.21  1.0
  Na  Na3  1  0.92  0.0  0.63  1.0
  Cr  Cr0  1  0.54  0.0  0.8  1.0
  In  In1  1  0.2  0.0  0.9  1.0

data_Na2CrIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   5.09
_cell_length_c   6.24
_cell_angle_alpha   95.4
_cell_angle_beta   90.0
_cell_angle_gamma   106.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CrIn
_chemical_formula_sum   'Na2 Cr1 In1'
_cell_volume   87.41
_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  0.08  0.37  1.0
  Na  Na1  1  0.0  0.55  0.79  1.0
  Cr  Cr2  1  0.0  0.46  0.2  1.0
  In  In3  1  0.0  0.8  0.1  1.0

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