data_Na2CoSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   46.43
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CoSe
_chemical_formula_sum   'Na2 Co1 Se1'
_cell_volume   91.79
_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  0.12  0.0  0.97  1.0
  Na  Na2  1  0.0  0.0  0.05  1.0
  Co  Co0  1  0.0  0.0  0.17  1.0
  Se  Se3  1  0.12  0.0  0.93  1.0

data_Na2CoSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.31
_cell_length_c   5.47
_cell_angle_alpha   113.21
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CoSe
_chemical_formula_sum   'Na2 Co1 Se1'
_cell_volume   91.79
_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  0.05  0.05  1.0
  Na  Na1  1  0.88  0.97  0.97  1.0
  Co  Co2  1  0.0  0.17  0.17  1.0
  Se  Se3  1  0.88  0.93  0.93  1.0

Na Na Co Se