data_[Ca4Er4Cd4P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Er  1.2400  1.7500  1.0300
  Cd  1.6900  1.5500  1.0900
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0492]
_cell_length_b [16.7086]
_cell_length_c [6.6965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CaErCdP2]
_chemical_formula_sum '[Ca4 Er4 Cd4 P8]'
_cell_volume [453.0613]
_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
[
  Ca  Ca0  4  0.0000  0.3048  0.9709  1
  Er  Er1  4  0.0000  0.4694  0.2800  1
  Cd  Cd2  4  0.0000  0.1154  0.1154  1
  P  P3  4  0.0000  0.0554  0.4851  1
  P  P4  4  0.0000  0.3180  0.4373  1
]