data_NaCoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   2.89
_cell_angle_alpha   99.79
_cell_angle_beta   99.79
_cell_angle_gamma   114.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCoAs2
_chemical_formula_sum   'Na1 Co1 As2'
_cell_volume   74.7
_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  Na3  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.95  0.0  0.0  1.0
  As  As0  1  0.02  0.31  0.37  1.0
  As  As1  1  0.02  0.69  0.37  1.0

data_NaCoAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   114.94
_cell_angle_beta   99.79
_cell_angle_gamma   99.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCoAs2
_chemical_formula_sum   'Na1 Co1 As2'
_cell_volume   74.7
_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
  Co  Co1  1  -0.0  0.95  0.0  1.0
  As  As2  1  0.37  0.02  0.69  1.0
  As  As3  1  0.37  0.02  0.31  1.0

Na Co As As