data_ErCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   4.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErCo3
_chemical_formula_sum   'Er2 Co6'
_cell_volume   118.4
_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  Er6  1  0.85  0.64  0.16  1.0
  Er  Er7  1  0.0  0.29  0.05  1.0
  Co  Co0  1  0.0  0.37  0.16  1.0
  Co  Co1  1  0.33  0.25  0.16  1.0
  Co  Co2  1  0.67  0.25  0.16  1.0
  Co  Co3  1  0.18  0.68  0.05  1.0
  Co  Co4  1  0.52  0.68  0.05  1.0
  Co  Co5  1  0.85  0.57  0.05  1.0

data_ErCo3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.21
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ErCo3
_chemical_formula_sum   'Er2 Co6'
_cell_volume   118.4
_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  0.05  0.42  0.18  1.0
  Co  Co1  2  0.05  0.24  0.78  1.0
  Co  Co2  2  0.05  0.58  0.9  1.0
  Co  Co3  2  0.05  0.91  0.78  1.0

Er Er Co Co Co Co Co Co
Er Er Co Co Co Co Co Co 0 7 o o o 0 4 o o o 0 5 + o o 0 6 o o o 1 2 o o o 1 3 o o o 1 4 - o o 1 5 o o o 2 3 o o o 2 4 - o o 2 5 o o o 3 6 o o o 3 4 o o o 4 7 o o o 5 7 - o o 5 6 o o o 6 7 o o o 