data_[Ce2Sn2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sn  1.9600  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.9910]
_cell_length_b [9.3609]
_cell_length_c [17.8098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [CeSnAs2]
_chemical_formula_sum '[Ce2 Sn2 As4]'
_cell_volume [665.3628]
_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
[
  Ce  Ce0  2  0.0000  0.2261  0.4504  1
  Sn  Sn1  1  0.5000  0.0000  0.5677  1
  Sn  Sn2  1  0.5000  0.5000  0.4206  1
  As  As3  2  0.5000  0.3027  0.5646  1
  As  As4  1  0.0000  0.5000  0.5698  1
  As  As5  1  0.5000  0.0000  0.4120  1
]