data_[Sr2B3C2]
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 [P2/m]
_cell_length_a [4.0018]
_cell_length_b [3.9131]
_cell_length_c [7.2659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0649]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sr2B3C2]
_chemical_formula_sum '[Sr2 B3 C2]'
_cell_volume [110.8360]
_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  0.4612  0.5000  0.7389  1.0
  B  B1  2  0.0584  0.0000  0.4031  1.0
  B  B2  1  0.0000  0.0000  0.0000  1.0
  C  C3  2  0.0125  0.0000  0.1991  1.0
]