data_[Ni2Ag1As3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.9078]
_cell_length_b [18.6994]
_cell_length_c [5.6971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5766]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ni2AgAs3]
_chemical_formula_sum '[Ni2 Ag1 As3]'
_cell_volume [406.3182]
_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
[
  Ni  Ni0  2  0.8496  0.4376  0.2326  1
  Ag  Ag1  1  0.7312  0.5000  0.6919  1
  As  As2  2  0.3999  0.4011  0.3916  1
  As  As3  1  0.2991  0.5000  0.0452  1
]