# generated using pymatgen
data_Ca3Er(TcB4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.55688477
_cell_length_b   5.98347667
_cell_length_c   11.57036973
_cell_angle_alpha   89.90770979
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Er(TcB4)4
_chemical_formula_sum   'Ca3 Er1 Tc4 B16'
_cell_volume   246.24650248
_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  0.87256921  0.15051513  1.0
  Ca  Ca1  1  0.50000000  0.12655253  0.85035915  1.0
  Ca  Ca2  1  0.50000000  0.37262202  0.34822717  1.0
  Er  Er3  1  0.50000000  0.62847746  0.65062775  1.0
  Tc  Tc4  1  0.50000000  0.86999268  0.41911063  1.0
  Tc  Tc5  1  0.50000000  0.12790830  0.58417136  1.0
  Tc  Tc6  1  0.50000000  0.37134489  0.08153849  1.0
  Tc  Tc7  1  0.50000000  0.62752950  0.91618282  1.0
  B  B8  1  0.00000000  0.52352422  0.19180278  1.0
  B  B9  1  0.00000000  0.47675143  0.80677333  1.0
  B  B10  1  0.00000000  0.02304376  0.30850261  1.0
  B  B11  1  0.00000000  0.97514551  0.69239985  1.0
  B  B12  1  0.00000000  0.61418969  0.04639322  1.0
  B  B13  1  0.00000000  0.38672726  0.95204215  1.0
  B  B14  1  0.00000000  0.11378514  0.45330490  1.0
  B  B15  1  0.00000000  0.88667839  0.54810952  1.0
  B  B16  1  0.00000000  0.63596687  0.46895145  1.0
  B  B17  1  0.00000000  0.36442214  0.53266434  1.0
  B  B18  1  0.00000000  0.13551335  0.03194532  1.0
  B  B19  1  0.00000000  0.86463424  0.96723973  1.0
  B  B20  1  0.00000000  0.71741923  0.31582421  1.0
  B  B21  1  0.00000000  0.28490348  0.68440837  1.0
  B  B22  1  0.00000000  0.21645584  0.18416565  1.0
  B  B23  1  0.00000000  0.78384387  0.81474010  1.0