data_SrCo2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.01
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   92.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCo2As
_chemical_formula_sum   'Sr1 Co2 As1'
_cell_volume   87.28
_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
  Sr  Sr3  1  0.15  0.0  0.39  1.0
  Co  Co1  1  0.95  0.01  0.69  1.0
  Co  Co2  1  0.35  0.01  0.1  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_SrCo2As
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.55
_cell_length_b   4.01
_cell_length_c   4.79
_cell_angle_alpha   90.0
_cell_angle_beta   92.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrCo2As
_chemical_formula_sum   'Sr1 Co2 As1'
_cell_volume   87.28
_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
  Sr  Sr0  1  0.15  0.0  0.39  1.0
  Co  Co1  1  0.35  0.0  0.1  1.0
  Co  Co2  1  0.95  0.0  0.69  1.0
  As  As3  1  0.0  0.0  0.0  1.0

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