data_[Sr2B6C3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  B  2.0400  0.8500  0.4100
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.7393]
_cell_length_b [6.7393]
_cell_length_c [2.9717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Sr2(B2C)3]
_chemical_formula_sum '[Sr2 B6 C3]'
_cell_volume [116.8858]
_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
[
  Sr  Sr0  2  0.3333  0.6667  0.0000  1
  B  B1  3  0.0000  0.1510  0.0000  1
  B  B2  3  0.0000  0.7607  0.5000  1
  C  C3  3  0.0000  0.2521  0.5000  1
]