data_[Gd2Be6As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Be  1.5700  1.0500  0.5900
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [19.1148]
_cell_length_b [4.2452]
_cell_length_c [11.1953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Gd(BeAs)3]
_chemical_formula_sum '[Gd2 Be6 As6]'
_cell_volume [908.4581]
_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
[
  Gd  Gd0  2  0.5000  0.0000  0.0797  1
  Be  Be1  4  0.4129  0.0000  0.6824  1
  Be  Be2  2  0.5000  0.0000  0.4107  1
  As  As3  4  0.3924  0.0000  0.5027  1
  As  As4  2  0.5000  0.0000  0.8061  1
]