data_[Li2Ca2W2]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [2.7984]
_cell_length_b [2.7984]
_cell_length_c [15.5600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [LiCaW]
_chemical_formula_sum '[Li2 Ca2 W2]'
_cell_volume [121.8477]
_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  0.0000  0.0000  0.6835  1
  Ca  Ca1  2  0.0000  0.0000  0.9872  1
  W  W2  2  0.0000  0.0000  0.3292  1
]