data_NaIn2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   5.54
_cell_length_c   4.54
_cell_angle_alpha   90.0
_cell_angle_beta   95.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaIn2Se
_chemical_formula_sum   'Na1 In2 Se1'
_cell_volume   108.25
_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  0.0  0.0  0.0  1.0
  In  In0  1  0.04  0.77  0.21  1.0
  In  In1  1  0.86  0.77  0.31  1.0
  Se  Se3  1  0.95  0.0  0.26  1.0

data_NaIn2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.32
_cell_length_b   4.54
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaIn2Se
_chemical_formula_sum   'Na1 In2 Se1'
_cell_volume   108.25
_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
  In  In1  1  0.14  0.69  0.23  1.0
  In  In2  1  0.96  0.79  0.23  1.0
  Se  Se3  1  0.05  0.74  0.0  1.0

Na In In Se