data_[Li4Ca4Ga4As8]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9681]
_cell_length_b [4.1361]
_cell_length_c [9.9808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.8222]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiCaGaAs2]
_chemical_formula_sum '[Li4 Ca4 Ga4 As8]'
_cell_volume [455.4928]
_cell_formula_units_Z [4]
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  0.1468  0.5000  0.9196  1.0
  Ca  Ca1  4  0.2140  0.0000  0.6433  1.0
  Ga  Ga2  4  0.0406  0.0000  0.1903  1.0
  As  As3  4  0.0708  0.5000  0.3646  1.0
  As  As4  4  0.1698  0.0000  0.0910  1.0
]