data_FeAgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   6.01
_cell_angle_alpha   99.77
_cell_angle_beta   99.77
_cell_angle_gamma   44.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAgAs2
_chemical_formula_sum   'Fe1 Ag1 As2'
_cell_volume   66.72
_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
  Fe  Fe3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.17  0.0  0.96  1.0
  As  As1  1  0.2  0.0  0.15  1.0
  As  As2  1  0.14  0.0  0.77  1.0

data_FeAgAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.02
_cell_length_c   6.01
_cell_angle_alpha   99.77
_cell_angle_beta   90.0
_cell_angle_gamma   112.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAgAs2
_chemical_formula_sum   'Fe1 Ag1 As2'
_cell_volume   66.72
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.83  0.04  1.0
  As  As2  1  0.0  0.8  0.85  1.0
  As  As3  1  0.0  0.86  0.23  1.0

Fe Ag As As