data_[Ca2Mn2B2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mn  1.5500  1.4000  0.6483
  B  2.0400  0.8500  0.4100
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.9223]
_cell_length_b [3.6045]
_cell_length_c [7.5672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaMnBC]
_chemical_formula_sum '[Ca2 Mn2 B2 C2]'
_cell_volume [103.9969]
_cell_formula_units_Z [2]
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
[
  Ca  Ca0  2  0.1965  0.2500  0.8485  1
  Mn  Mn1  2  0.2694  0.7500  0.5355  1
  B  B2  2  0.1825  0.2500  0.3735  1
  C  C3  2  0.3739  0.2500  0.2222  1
]