data_[Ca2In10Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3888]
_cell_length_b [7.9487]
_cell_length_c [4.3429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6624]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaIn5Cu2]
_chemical_formula_sum '[Ca2 In10 Cu4]'
_cell_volume [367.8539]
_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  2  0.0000  0.0000  0.0000  1.0
  In  In1  8  0.1511  0.3011  0.6554  1.0
  In  In2  2  0.0000  0.5000  0.0000  1.0
  Cu  Cu3  4  0.2498  0.5000  0.2553  1.0
]