data_[Li14Ca2Mg10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.9650]
_cell_length_b [10.2017]
_cell_length_c [9.9783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Li7CaMg5]
_chemical_formula_sum '[Li14 Ca2 Mg10]'
_cell_volume [607.2097]
_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
[
  Li  Li0  4  0.0000  0.2811  0.4990  1
  Li  Li1  4  0.0000  0.3574  0.0009  1
  Li  Li2  2  0.0000  0.0000  0.3558  1
  Li  Li3  2  0.0000  0.0000  0.6490  1
  Li  Li4  2  0.0000  0.5000  0.7057  1
  Ca  Ca5  2  0.0000  0.0000  0.0004  1
  Mg  Mg6  8  0.2496  0.2545  0.7491  1
  Mg  Mg7  2  0.0000  0.5000  0.2930  1
]