data_[Ce1In4As3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.1530]
_cell_length_b [8.8972]
_cell_length_c [19.4583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CeIn4As3]
_chemical_formula_sum '[Ce1 In4 As3]'
_cell_volume [718.9840]
_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
[
  Ce  Ce0  1  0.2381  0.5000  0.5970  1
  In  In1  2  0.2342  0.2357  0.4685  1
  In  In2  1  0.7350  0.5000  0.4406  1
  In  In3  1  0.9984  0.0000  0.3679  1
  As  As4  2  0.7385  0.2789  0.5744  1
  As  As5  1  0.6885  0.0000  0.5087  1
]