data_Na2CoSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96
_cell_length_b   3.99
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CoSe
_chemical_formula_sum   'Na2 Co1 Se1'
_cell_volume   77.59
_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  Na1  1  0.92  1.0  0.66  1.0
  Na  Na2  1  0.03  1.0  0.25  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Se  Se3  1  1.0  0.0  0.46  1.0

data_Na2CoSe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.96
_cell_length_b   3.99
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Na2CoSe
_chemical_formula_sum   'Na2 Co1 Se1'
_cell_volume   77.59
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.03  0.0  0.25  1.0
  Na  Na1  1  0.92  0.0  0.66  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  1.0  0.0  0.46  1.0

Na Na Co Se
Na Na Co Se 0 3 o + o 1 2 o + o 1 3 - + o 