data_[Co7As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.8841]
_cell_length_b [6.8841]
_cell_length_c [3.3721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Co7As4]
_chemical_formula_sum '[Co7 As4]'
_cell_volume [138.3955]
_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
[
  Co  Co0  3  0.1351  0.2702  0.5000  1.0
  Co  Co1  3  0.4078  0.2039  0.0000  1.0
  Co  Co2  1  0.3333  0.6667  0.0000  1.0
  As  As3  3  0.5117  0.0234  0.5000  1.0
  As  As4  1  0.0000  0.0000  0.0000  1.0
]