data_[Ca4Mg2Zn10Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.8810]
_cell_length_b [9.8810]
_cell_length_c [3.8001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ca2MgZn5Cu2]
_chemical_formula_sum '[Ca4 Mg2 Zn10 Cu4]'
_cell_volume [371.0171]
_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  0.1816  0.6816  0.0000  1.0
  Mg  Mg1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  8  0.0576  0.2119  0.5000  1.0
  Zn  Zn3  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu4  4  0.1148  0.3852  0.0000  1.0
]