# generated using pymatgen
data_CaUS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.88101807
_cell_length_b   8.88101807
_cell_length_c   8.88101807
_cell_angle_alpha   127.85737520
_cell_angle_beta   127.85737520
_cell_angle_gamma   76.85618871
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaUS2
_chemical_formula_sum   'Ca4 U4 S8'
_cell_volume   423.95774149
_cell_formula_units_Z   4
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  0.27043100  0.62500000  0.14543100  1.0
  Ca  Ca1  1  0.47956900  0.12500000  0.85456900  1.0
  Ca  Ca2  1  0.37500000  0.52043100  0.64543100  1.0
  Ca  Ca3  1  0.87500000  0.72956900  0.35456900  1.0
  U  U4  1  0.37500000  0.02412200  0.14912200  1.0
  U  U5  1  0.87500000  0.22587800  0.85087800  1.0
  U  U6  1  0.77412200  0.62500000  0.64912200  1.0
  U  U7  1  0.97587800  0.12500000  0.35087800  1.0
  S  S8  1  0.10574300  0.10101700  0.70679400  1.0
  S  S9  1  0.60105100  0.89425700  0.99527400  1.0
  S  S10  1  0.39422300  0.39894900  0.29320600  1.0
  S  S11  1  0.35577700  0.14898300  0.50472600  1.0
  S  S12  1  0.85101700  0.35574300  0.20679400  1.0
  S  S13  1  0.64425700  0.85105100  0.49527400  1.0
  S  S14  1  0.14894900  0.64422300  0.79320600  1.0
  S  S15  1  0.89898300  0.60577700  0.00472600  1.0