data_[Ca4Mg4Zn4]
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
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9172]
_cell_length_b [5.8882]
_cell_length_c [7.9586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6520]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CaMgZn]
_chemical_formula_sum '[Ca4 Mg4 Zn4]'
_cell_volume [303.3227]
_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  0.1674  0.6128  0.8703  1.0
  Mg  Mg1  4  0.4207  0.1082  0.8005  1.0
  Zn  Zn2  4  0.1794  0.1073  0.0226  1.0
]