data_[Ca4Mg4Ag4]
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
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9317]
_cell_length_b [4.7455]
_cell_length_c [5.6761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9541]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaMgAg]
_chemical_formula_sum '[Ca4 Mg4 Ag4]'
_cell_volume [317.4735]
_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  0.1218  0.0000  0.3069  1.0
  Mg  Mg1  4  0.0882  0.5000  0.7705  1.0
  Ag  Ag2  4  0.2192  0.0000  0.8444  1.0
]