data_[Zn1Ag1As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.8119]
_cell_length_b [5.0425]
_cell_length_c [5.5687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [ZnAgAs2]
_chemical_formula_sum '[Zn1 Ag1 As2]'
_cell_volume [76.4348]
_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
[
  Zn  Zn0  1  0.5000  0.5000  0.5000  1
  Ag  Ag1  1  0.5000  0.5000  0.0000  1
  As  As2  2  0.3878  0.0000  0.7589  1
]