data_NaCo2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   148.39
_cell_angle_beta   130.74
_cell_angle_gamma   59.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCo2As
_chemical_formula_sum   'Na1 Co2 As1'
_cell_volume   57.97
_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  0.62  1.0
  Co  Co1  1  0.0  0.0  0.09  1.0
  Co  Co2  1  0.44  0.0  0.02  1.0
  As  As0  1  0.0  0.2  0.58  1.0

data_NaCo2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.4
_cell_length_c   5.28
_cell_angle_alpha   114.63
_cell_angle_beta   105.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCo2As
_chemical_formula_sum   'Na1 Co2 As1'
_cell_volume   57.97
_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  0.38  0.38  0.38  1.0
  Co  Co1  1  0.42  0.98  0.42  1.0
  Co  Co2  1  0.91  0.91  0.91  1.0
  As  As3  1  0.42  0.62  0.62  1.0

Na Co Co As
Na Co Co As 0 3 o o o 0 2 o o + 1 3 o o o 2 3 + o o 