data_[Ca4Cd5Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6527]
_cell_length_b [3.9716]
_cell_length_c [9.3144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca4Cd5Cu2]
_chemical_formula_sum '[Ca4 Cd5 Cu2]'
_cell_volume [282.2496]
_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
[
  Ca  Ca0  2  0.1828  0.5000  0.8574  1.0
  Ca  Ca1  2  0.2368  0.5000  0.4333  1.0
  Cd  Cd2  2  0.1692  0.0000  0.1492  1.0
  Cd  Cd3  2  0.4393  0.0000  0.6747  1.0
  Cd  Cd4  1  0.5000  0.0000  0.0000  1.0
  Cu  Cu5  2  0.0622  0.0000  0.6281  1.0
]