data_CoAgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.03
_cell_length_b   8.03
_cell_length_c   8.03
_cell_angle_alpha   22.51
_cell_angle_beta   22.51
_cell_angle_gamma   22.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAgAs2
_chemical_formula_sum   'Co1 Ag1 As2'
_cell_volume   66.52
_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
  Co  Co3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.73  1.0
  As  As1  1  0.0  0.0  0.26  1.0
  As  As2  1  0.0  0.0  0.21  1.0

data_CoAgAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.43
_cell_length_b   3.13
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   103.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoAgAs2
_chemical_formula_sum   'Co2 Ag2 As4'
_cell_volume   133.04
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Co  Co0  2  0.0  0.0  0.0  1.0
  Ag  Ag1  2  0.0  0.0  0.27  1.0
  As  As2  2  0.0  0.0  0.74  1.0
  As  As3  2  0.0  0.0  0.79  1.0

Co Ag As As