data_[Al2Ag2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [2.9915]
_cell_length_b [2.6958]
_cell_length_c [10.0138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8362]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AlAgC]
_chemical_formula_sum '[Al2 Ag2 C2]'
_cell_volume [80.0021]
_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
[
  Al  Al0  2  0.0877  0.7500  0.6873  1
  Ag  Ag1  2  0.3047  0.7500  0.1135  1
  C  C2  2  0.4884  0.2500  0.4653  1
]