data_[Sr4Co12As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Co  1.8800  1.3500  0.7683
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1007]
_cell_length_b [3.8564]
_cell_length_c [7.5378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9428]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrCo3As2]
_chemical_formula_sum '[Sr4 Co12 As8]'
_cell_volume [401.1851]
_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
[
  Sr  Sr0  4  0.1469  0.0000  0.0592  1
  Co  Co1  4  0.0422  0.0000  0.3958  1
  Co  Co2  4  0.0826  0.5000  0.6379  1
  Co  Co3  4  0.1857  0.5000  0.4514  1
  As  As4  4  0.0266  0.5000  0.2148  1
  As  As5  4  0.1900  0.0000  0.6630  1
]