data_[Zr12Sn4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4166]
_cell_length_b [4.9682]
_cell_length_c [7.5234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0749]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr3SnAs]
_chemical_formula_sum '[Zr12 Sn4 As4]'
_cell_volume [497.6672]
_cell_formula_units_Z [4]
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
[
  Zr  Zr0  4  0.0384  0.0000  0.7907  1
  Zr  Zr1  4  0.1674  0.0000  0.4762  1
  Zr  Zr2  4  0.2187  0.5000  0.1405  1
  Sn  Sn3  4  0.1318  0.5000  0.6819  1
  As  As4  4  0.1462  0.0000  0.1109  1
]