# generated using pymatgen
data_CaTm(BC)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32836119
_cell_length_b   5.32836119
_cell_length_c   3.57548518
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTm(BC)4
_chemical_formula_sum   'Ca1 Tm1 B4 C4'
_cell_volume   101.51314773
_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
  Ca  Ca0  1  0.50000000  0.50000000  0.00000000  1.0
  Tm  Tm1  1  0.00000000  0.00000000  0.00000000  1.0
  B  B2  1  0.13646241  0.63788681  0.50000000  1.0
  B  B3  1  0.63788681  0.86353759  0.50000000  1.0
  B  B4  1  0.86353759  0.36211319  0.50000000  1.0
  B  B5  1  0.36211319  0.13646241  0.50000000  1.0
  C  C6  1  0.84070813  0.66411956  0.50000000  1.0
  C  C7  1  0.33588044  0.84070813  0.50000000  1.0
  C  C8  1  0.66411956  0.15929187  0.50000000  1.0
  C  C9  1  0.15929187  0.33588044  0.50000000  1.0