data_NaCr2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62
_cell_length_b   5.62
_cell_length_c   5.62
_cell_angle_alpha   151.05
_cell_angle_beta   132.08
_cell_angle_gamma   56.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCr2Se
_chemical_formula_sum   'Na1 Cr2 Se1'
_cell_volume   63.27
_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
  Cr  Cr0  1  0.4  0.0  0.92  1.0
  Cr  Cr1  1  0.0  0.28  0.02  1.0
  Se  Se3  1  0.0  0.0  0.94  1.0

data_NaCr2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.56
_cell_length_c   5.62
_cell_angle_alpha   113.96
_cell_angle_beta   104.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCr2Se
_chemical_formula_sum   'Na1 Cr2 Se1'
_cell_volume   63.27
_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  0.49  0.08  0.49  1.0
  Cr  Cr2  1  0.98  0.26  0.26  1.0
  Se  Se3  1  0.06  0.06  0.06  1.0

Na Cr Cr Se