data_ErCuAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   9.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErCuAs2
_chemical_formula_sum   'Er2 Cu2 As4'
_cell_volume   148.32
_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  0.0  0.94  0.58  1.0
  Er  Er7  1  0.94  0.0  0.25  1.0
  Cu  Cu0  1  0.94  0.94  0.0  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.0  0.0  0.91  1.0
  As  As3  1  0.94  0.94  0.91  1.0
  As  As4  1  0.0  0.94  0.22  1.0
  As  As5  1  0.94  0.0  0.61  1.0

data_ErCuAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   9.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ErCuAs2
_chemical_formula_sum   'Er4 Cu4 As8'
_cell_volume   296.64
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.58  1.0
  Er  Er1  2  0.44  0.5  0.25  1.0
  Cu  Cu2  4  0.47  0.47  -0.0  1.0
  As  As3  4  0.47  0.47  0.91  1.0
  As  As4  2  0.0  0.0  0.22  1.0
  As  As5  2  0.44  0.5  0.61  1.0

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