data_[Li2Mg2Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5626]
_cell_length_b [4.6555]
_cell_length_c [6.2482]
_cell_angle_alpha [108.4716]
_cell_angle_beta [91.1690]
_cell_angle_gamma [118.8125]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiMgSi]
_chemical_formula_sum '[Li2 Mg2 Si2]'
_cell_volume [107.8789]
_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  2  0.1297  0.1499  0.8484  1.0
  Mg  Mg1  2  0.2656  0.6269  0.3396  1.0
  Si  Si2  2  0.4377  0.7783  0.8072  1.0
]