data_Ca4ErB3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.02
_cell_length_b   9.02
_cell_length_c   3.54
_cell_angle_alpha   95.01
_cell_angle_beta   95.01
_cell_angle_gamma   126.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4ErB3O10
_chemical_formula_sum   'Ca4 Er1 B3 O10'
_cell_volume   227.65
_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  0.36  0.2  0.96  1.0
  Ca  Ca1  1  0.36  0.8  0.96  1.0
  Ca  Ca2  1  0.92  0.12  0.3  1.0
  Ca  Ca3  1  0.92  0.88  0.3  1.0
  Er  Er4  1  0.2  0.0  0.1  1.0
  B  B5  1  0.12  0.0  0.15  1.0
  B  B6  1  0.7  0.12  0.82  1.0
  B  B7  1  0.7  0.88  0.82  1.0
  O  O8  1  0.66  0.21  0.83  1.0
  O  O9  1  0.66  0.79  0.83  1.0
  O  O10  1  0.86  0.0  0.63  1.0
  O  O11  1  0.45  0.8  0.98  1.0
  O  O12  1  0.45  0.2  0.98  1.0
  O  O13  1  0.35  0.0  0.48  1.0
  O  O14  1  0.73  0.27  0.15  1.0
  O  O15  1  0.73  0.73  0.15  1.0
  O  O16  1  0.85  0.78  0.51  1.0
  O  O17  1  0.85  0.22  0.51  1.0

data_Ca4ErB3O10
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   8.13
_cell_length_c   9.02
_cell_angle_alpha   63.21
_cell_angle_beta   84.99
_cell_angle_gamma   78.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4ErB3O10
_chemical_formula_sum   'Ca4 Er1 B3 O10'
_cell_volume   227.65
_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  0.04  0.8  0.56  1.0
  Ca  Ca1  1  0.04  0.2  0.16  1.0
  Ca  Ca2  1  0.7  0.88  0.04  1.0
  Ca  Ca3  1  0.7  0.12  0.81  1.0
  Er  Er4  1  0.9  0.0  0.2  1.0
  B  B5  1  0.18  0.88  0.82  1.0
  B  B6  1  0.18  0.12  0.58  1.0
  B  B7  1  0.85  0.0  0.12  1.0
  O  O8  1  0.02  0.8  0.65  1.0
  O  O9  1  0.02  0.2  0.26  1.0
  O  O10  1  0.17  0.79  0.87  1.0
  O  O11  1  0.17  0.21  0.45  1.0
  O  O12  1  0.37  0.0  0.86  1.0
  O  O13  1  0.49  0.78  0.07  1.0
  O  O14  1  0.49  0.22  0.63  1.0
  O  O15  1  0.52  0.0  0.35  1.0
  O  O16  1  0.85  0.73  0.0  1.0
  O  O17  1  0.85  0.27  0.46  1.0

Ca Ca Ca Ca Er B B B O O O O O O O O O O