data_[Ca1Mg1Zn2Co1]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.6820]
_cell_length_b [4.6820]
_cell_length_c [4.6882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [CaMgZn2Co]
_chemical_formula_sum '[Ca1 Mg1 Zn2 Co1]'
_cell_volume [102.7706]
_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  1  0.5000  0.5000  0.5000  1
  Mg  Mg1  1  0.0000  0.0000  0.5000  1
  Zn  Zn2  2  0.0000  0.5000  0.0000  1
  Co  Co3  1  0.0000  0.0000  0.0000  1
]