data_[Be2Ag2As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.6655]
_cell_length_b [3.7887]
_cell_length_c [6.2315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4620]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BeAgAs]
_chemical_formula_sum '[Be2 Ag2 As2]'
_cell_volume [106.1613]
_cell_formula_units_Z [2]
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
[
  Be  Be0  1  0.4175  0.0000  0.0758  1.0
  Be  Be1  1  0.8843  0.5000  0.5831  1.0
  Ag  Ag2  1  0.0606  0.0000  0.3257  1.0
  Ag  Ag3  1  0.7420  0.5000  0.9436  1.0
  As  As4  1  0.0512  0.0000  0.7613  1.0
  As  As5  1  0.5008  0.5000  0.2816  1.0
]