data_[Li10Ca2Mg14]
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 [5.6201]
_cell_length_b [10.2184]
_cell_length_c [10.2176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Li5CaMg7]
_chemical_formula_sum '[Li10 Ca2 Mg14]'
_cell_volume [586.7787]
_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  8  0.2499  0.2486  0.2496  1.0
  Li  Li1  2  0.0000  0.5000  0.7199  1.0
  Ca  Ca2  2  0.0000  0.0000  0.9999  1.0
  Mg  Mg3  4  0.0000  0.2879  0.5007  1.0
  Mg  Mg4  4  0.0000  0.3534  0.0001  1.0
  Mg  Mg5  2  0.0000  0.0000  0.3522  1.0
  Mg  Mg6  2  0.0000  0.0000  0.6458  1.0
  Mg  Mg7  2  0.0000  0.5000  0.2823  1.0
]