data_[Co3B3Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [4.7163]
_cell_length_b [8.8315]
_cell_length_c [4.7633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1913]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [CoBPt2]
_chemical_formula_sum '[Co3 B3 Pt6]'
_cell_volume [173.1993]
_cell_formula_units_Z [3]
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  1  0.0000  0.9278  0.5000  1
  Co  Co1  1  0.5000  0.2879  0.0000  1
  Co  Co2  1  0.5000  0.7452  0.5000  1
  B  B3  1  0.0000  0.5021  0.5000  1
  B  B4  1  0.5000  0.1767  0.5000  1
  B  B5  1  0.5000  0.8371  0.0000  1
  Pt  Pt6  2  0.1453  0.3346  0.3076  1
  Pt  Pt7  2  0.1507  0.6691  0.8368  1
  Pt  Pt8  2  0.3148  0.0080  0.1613  1
]