data_[La2Co12As7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Co  1.8800  1.3500  0.7683
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-6]
_cell_length_a [9.4416]
_cell_length_b [9.4416]
_cell_length_c [3.8176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [La2Co12As7]
_chemical_formula_sum '[La2 Co12 As7]'
_cell_volume [294.7235]
_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
[
  La  La0  1  0.0000  0.0000  0.5000  1
  La  La1  1  0.6667  0.3333  0.0000  1
  Co  Co2  3  0.0590  0.5173  0.0000  1
  Co  Co3  3  0.2148  0.7672  0.5000  1
  Co  Co4  3  0.2757  0.2336  0.0000  1
  Co  Co5  3  0.3849  0.0942  0.5000  1
  As  As6  3  0.0405  0.2657  0.0000  1
  As  As7  3  0.4369  0.3716  0.5000  1
  As  As8  1  0.3333  0.6667  0.0000  1
]