data_ErF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   3.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErF3
_chemical_formula_sum   'Er2 F6'
_cell_volume   83.15
_cell_formula_units_Z   2
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
  Er  Er0  1  0.0  0.9  0.95  1.0
  Er  Er1  1  0.51  0.45  0.85  1.0
  F  F2  1  0.0  0.56  0.85  1.0
  F  F3  1  0.16  0.57  0.85  1.0
  F  F4  1  0.84  0.57  0.85  1.0
  F  F5  1  0.51  0.8  0.95  1.0
  F  F6  1  0.35  0.78  0.95  1.0
  F  F7  1  0.68  0.78  0.95  1.0

data_ErF3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.8
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ErF3
_chemical_formula_sum   'Er2 F6'
_cell_volume   83.15
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Er  Er0  2  0.45  0.26  0.27  1.0
  F  F1  2  0.45  0.58  0.4  1.0
  F  F2  2  0.45  0.74  0.38  1.0
  F  F3  2  0.45  0.91  0.4  1.0

Er Er F F F F F F
Er Er F F F F F F 0 4 - o o 0 7 - o o 1 7 o o o 1 4 o o o 2 4 - o o 2 3 o o o 5 6 o o o 5 7 o o o 