data_[Ca10Ce2As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ce  1.1200  1.8500  1.0800
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2901]
_cell_length_b [4.3272]
_cell_length_c [8.4154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4359]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca5CeAs4]
_chemical_formula_sum '[Ca10 Ce2 As8]'
_cell_volume [647.8030]
_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
[
  Ca  Ca0  4  0.1615  0.0000  0.3178  1
  Ca  Ca1  4  0.1686  0.0000  0.8643  1
  Ca  Ca2  2  0.0000  0.5000  0.5000  1
  Ce  Ce3  2  0.0000  0.5000  0.0000  1
  As  As4  4  0.0029  0.0000  0.7488  1
  As  As5  4  0.1675  0.5000  0.0967  1
]