# generated using pymatgen
data_Ca3Er(Si4Tc3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77897021
_cell_length_b   6.65500117
_cell_length_c   6.76504331
_cell_angle_alpha   70.50436490
_cell_angle_beta   90.03305673
_cell_angle_gamma   89.76258809
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3Er(Si4Tc3)2
_chemical_formula_sum   'Ca3 Er1 Si8 Tc6'
_cell_volume   287.69746977
_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  0.66347895  0.44419279  0.18279428  1.0
  Ca  Ca1  1  0.16572713  0.05704131  0.81388009  1.0
  Ca  Ca2  1  0.33533353  0.55587404  0.81601882  1.0
  Er  Er3  1  0.83280264  0.94106039  0.19369914  1.0
  Si  Si4  1  0.45191403  0.11670980  0.10393366  1.0
  Si  Si5  1  0.95286673  0.38229240  0.89520966  1.0
  Si  Si6  1  0.54797808  0.88243222  0.89645813  1.0
  Si  Si7  1  0.04615171  0.61941988  0.10307171  1.0
  Si  Si8  1  0.86145197  0.13470022  0.50686469  1.0
  Si  Si9  1  0.36113802  0.36853126  0.49186839  1.0
  Si  Si10  1  0.14128736  0.86781701  0.49368207  1.0
  Si  Si11  1  0.63743003  0.62889781  0.50911596  1.0
  Tc  Tc12  1  0.50356477  0.00016162  0.49629060  1.0
  Tc  Tc13  1  0.99916134  0.50313888  0.49775753  1.0
  Tc  Tc14  1  0.15584644  0.24262347  0.24366661  1.0
  Tc  Tc15  1  0.66140416  0.25282835  0.75849675  1.0
  Tc  Tc16  1  0.84169651  0.75845416  0.75434412  1.0
  Tc  Tc17  1  0.34076658  0.74382339  0.24284679  1.0