data_[Pr1Co6As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [6.8414]
_cell_length_b [6.8414]
_cell_length_c [3.7411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Pr(Co3As2)2]
_chemical_formula_sum '[Pr1 Co6 As4]'
_cell_volume [151.6427]
_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
[
  Pr  Pr0  1  0.3333  0.6667  0.0000  1.0
  Co  Co1  3  0.1280  0.2560  0.5000  1.0
  Co  Co2  3  0.4042  0.2021  0.0000  1.0
  As  As3  3  0.5256  0.4744  0.5000  1.0
  As  As4  1  0.0000  0.0000  0.0000  1.0
]