data_[Gd1Sn3As3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.9245]
_cell_length_b [7.0758]
_cell_length_c [19.2769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0782]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Gd(SnAs)3]
_chemical_formula_sum '[Gd1 Sn3 As3]'
_cell_volume [535.3004]
_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
[
  Gd  Gd0  1  0.4542  0.5848  0.5725  1
  Sn  Sn1  1  0.4576  0.6154  0.3912  1
  Sn  Sn2  1  0.4757  0.2456  0.4648  1
  Sn  Sn3  1  0.9526  0.9287  0.6131  1
  As  As4  1  0.9521  0.2932  0.5866  1
  As  As5  1  0.9566  0.7757  0.4745  1
  As  As6  1  0.9749  0.0588  0.3974  1
]