data_[Li1Ca2Ga1Cu6]
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
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3359]
_cell_length_b [6.4169]
_cell_length_c [6.4698]
_cell_angle_alpha [119.5830]
_cell_angle_beta [102.0660]
_cell_angle_gamma [99.5969]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiCa2GaCu6]
_chemical_formula_sum '[Li1 Ca2 Ga1 Cu6]'
_cell_volume [178.6546]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5000  1.0
  Ca  Ca1  2  0.4302  0.6577  0.8443  1.0
  Ga  Ga2  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu3  2  0.0058  0.7147  0.1458  1.0
  Cu  Cu4  2  0.0317  0.8636  0.5838  1.0
  Cu  Cu5  2  0.1202  0.4674  0.3246  1.0
]