data_ZrCoAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.38
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCoAs2
_chemical_formula_sum   'Zr1 Co1 As2'
_cell_volume   64.63
_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
  Zr  Zr3  1  0.0  0.0  0.18  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.5  0.69  0.97  1.0
  As  As1  1  0.5  0.69  0.4  1.0

data_ZrCoAs2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.38
_cell_length_b   3.01
_cell_length_c   6.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ZrCoAs2
_chemical_formula_sum   'Zr1 Co1 As2'
_cell_volume   64.63
_cell_formula_units_Z   1
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
  Zr  Zr0  1  0.0  0.0  0.18  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.69  0.5  0.4  1.0
  As  As3  1  0.69  0.5  0.97  1.0

Zr Co As As
Zr Co As As 0 1 o o o 0 3 o - o 0 3 - - o 1 2 o - - 1 2 - - - 2 3 o o + 